3-[[2-cyano-3-(2-methoxy-5-nitro-phenyl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[2-cyano-3-(2-methoxy-5-nitro-phenyl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[2-cyano-3-(2-methoxy-5-nitro-phenyl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[2-cyano-3-(2-methoxy-5-nitrophenyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[2-cyano-3-(2-methoxy-5-nitrophenyl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[2-cyano-3-(2-methoxy-5-nitro-phenyl)acryloyl]amino]benzoic acid Formula: C18H13N3O6 MolecularWeight: 367.31232

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C=C(C#N)C(=O)NC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C18H13N3O6/c1-27-16-6-5-15(21(25)26)9-12(16)7-13(10-19)17(22)20-14-4-2-3-11(8-14)18(23)24/h2-9H,1H3,(H,20,22)(H,23,24)