Basic information
- CAS
73713-67-4- Standard SMILES
CCOC(=O)c1ccc(N=Cc2cccc([N+](=O)[O-])c2)cc1- InChIKey
CFHPLYRQKPLRNN-UHFFFAOYSA-N- Molecular formula
- C16H14N2O4
- Average molar mass
- 298.29 g/mol
- Monoisotopic mass
- 298.09535693
Names & identifiers
- Preferred name
- Ethyl 4-((3-nitrophenyl)methylideneamino)benzoate
- IUPAC
- ethyl 4-[(3-nitrophenyl)methylideneamino]benzoate
- English name
- p-(m-Nitrobenzylidene)aminobenzoic acid ethyl ester
- Molecular formula
- C16H14N2O4
- Molecular weight
- 298.29
Names & synonyms
ethyl 4-[(3-nitrophenyl)methylideneamino]benzoateNSC-2109209RPY559NQJEthyl 4-((3-nitrophenyl)methylideneamino)benzoateRefChem:108489573713-67-4Ethyl 4-(m-nitrobenzylidene)aminobenzoatep-(m-Nitrobenzylidene)aminobenzoic acid ethyl esterBENZOIC ACID, p-(m-NITROBENZYLIDENE)AMINO-, ETHYL ESTEREthyl 4-((3-nitrobenzylidene)amino)benzoateBenzoic acid, 4-(((3-nitrophenyl)methylene)amino)-, ethyl esterethyl 4-[(3-nitrobenzylidene)amino]benzoate
Show more names
ethyl 4-[(E)-(3-nitrophenyl)methyleneamino]benzoate4-((3-NITRO-BENZYLIDENE)-AMINO)-BENZOIC ACID ETHYL ESTERBenzoic acid, 4-[[(3-nitrophenyl)methylene]amino]-, ethyl ester
NSC 210920BRN 3157622CBDivE_0003384-14-00-01183 (Beilstein Handbook Reference)SCHEMBL2538804SCHEMBL2538806CFHPLYRQKPLRNN-GZTJUZNOSA-NNSC210920
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 411
Physicochemical properties
- Melting point
- 152 °C · 152 °C(Solv: ethanol (64-17-5))
- Boiling point
- 466.8 · 466.8±30.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 1.76 · 1.76±0.50(Predicted)
- FDA UNII
- 9 RPY559NQJ · 9RPY559NQJ
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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