3-[[(E)-2-cyano-3-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)prop-2-enoyl]amino]benzoic acid

Systemtic Name: 3-[[(E)-2-cyano-3-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)prop-2-enoyl]amino]benzoic acid Openeye Name: 3-[[(E)-2-cyano-3-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)prop-2-enoyl]amino]benzoic acid CAS Name: 3-[[(E)-2-cyano-3-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-1-oxoprop-2-enyl]amino]benzoic acid IUPAC Name: 3-[[(E)-2-cyano-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)prop-2-enoyl]amino]benzoic acid Traditional Name: 3-[[(E)-2-cyano-3-(2-keto-1,3-dimethyl-benzimidazol-5-yl)acryloyl]amino]benzoic acid Formula: C20H16N4O4 MolecularWeight: 376.36544

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC(=C3)C(=O)O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC(=C3)C(=O)O)N(C1=O)C

InChI

InChI=1S/C20H16N4O4/c1-23-16-7-6-12(9-17(16)24(2)20(23)28)8-14(11-21)18(25)22-15-5-3-4-13(10-15)19(26)27/h3-10H,1-2H3,(H,22,25)(H,26,27)/b14-8+