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

Systemtic Name: 4-[[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 4-[[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 4-[[(E)-2-cyano-3-(4-ethyl-3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 4-[[(E)-2-cyano-3-(4-ethyl-3-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 4-[[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)acryloyl]amino]benzoic acid Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCC1=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/C19H15N3O5/c1-2-13-4-3-12(10-17(13)22(26)27)9-15(11-20)18(23)21-16-7-5-14(6-8-16)19(24)25/h3-10H,2H2,1H3,(H,21,23)(H,24,25)/b15-9+