Basic information
- CAS
31191-21-6- Standard SMILES
Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1- InChIKey
VPNQICVSXJMXGC-JXMROGBWSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- (E)-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
- IUPAC
- (E)-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamide
Names & synonyms
(E)-N-(3-methylphenyl)-3-(4-nitrophenyl)prop-2-enamideNSC13910931191-21-6CHEMBL2006535CCG-35203AKOS001606129NSC-139109PD011421SR-01000401708SR-01000401708-1
Database identifiers
- CAS
31191-21-6- PubChem CID
- 5351237
- ChEMBL
CHEMBL2006535
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 395
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…