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

Systemtic Name: 2-[[(E)-2-cyano-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 2-[[(E)-2-cyano-3-(4-methyl-3-nitro-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 2-[[(E)-2-cyano-3-(4-methyl-3-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 2-[[(E)-2-cyano-3-(4-methyl-3-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 2-[[(E)-2-cyano-3-(4-methyl-3-nitro-phenyl)acryloyl]amino]benzoic acid Formula: C18H13N3O5 MolecularWeight: 351.31292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=CC=CC=C2C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N3O5/c1-11-6-7-12(9-16(11)21(25)26)8-13(10-19)17(22)20-15-5-3-2-4-14(15)18(23)24/h2-9H,1H3,(H,20,22)(H,23,24)/b13-8+