Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, methyl ester
Basic information
- CAS
61144-90-9- Standard SMILES
COC(=O)c1ccccc1N=Cc1ccc([N+](=O)[O-])cc1- InChIKey
GORITNSLFWBBQQ-UHFFFAOYSA-N- Molecular formula
- C15H12N2O4
- Average molar mass
- 284.27 g/mol
- Monoisotopic mass
- 284.07970687
Names & identifiers
- Preferred name
- Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, methyl ester
- IUPAC
- methyl 2-[(4-nitrophenyl)methylideneamino]benzoate
Names & synonyms
61144-90-9Benzoic acid, 2-[[(4-nitrophenyl)methylene]amino]-, methyl esterMethyl N-(4-nitro)benzylidene-2-amino-benzoateDTXSID80347541GORITNSLFWBBQQ-MHWRWJLKSA-NMethyl 2-{(E)-[(4-nitrophenyl)methylidene]amino}benzoateMethyl 2-([(E)-(4-nitrophenyl)methylidene]amino)benzoate #
Database identifiers
- CAS
61144-90-9- PubChem CID
- 622804
- DTXSID
DTXSID80347541
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 84.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 397
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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