4-[[(E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]amino]benzoic acid

Systemtic Name: 4-[[(E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-[4-(dimethylamino)-3-nitrophenyl]-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]acryloyl]amino]benzoic acid Formula: C19H16N4O5 MolecularWeight: 380.35414

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O5/c1-22(2)16-8-3-12(10-17(16)23(27)28)9-14(11-20)18(24)21-15-6-4-13(5-7-15)19(25)26/h3-10H,1-2H3,(H,21,24)(H,25,26)/b14-9+