4-[[(Z)-2-cyano-3-cyclopropyl-1-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]benzoic acid

Systemtic Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-oxidanyl-3-oxidanylidene-prop-1-enyl]amino]benzoic acid Openeye Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-hydroxy-3-oxo-prop-1-enyl]amino]benzoic acid CAS Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-hydroxy-3-oxoprop-1-enyl]amino]benzoic acid IUPAC Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-hydroxy-3-oxoprop-1-enyl]amino]benzoic acid Traditional Name: 4-[[(Z)-2-cyano-3-cyclopropyl-1-hydroxy-3-keto-prop-1-enyl]amino]benzoic acid Formula: C14H12N2O4 MolecularWeight: 272.25608

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)C(=C(NC2=CC=C(C=C2)C(=O)O)O)C#N

Isomeric SMILES

C1CC1C(=O)/C(=C(/NC2=CC=C(C=C2)C(=O)O)\O)/C#N

InChI

InChI=1S/C14H12N2O4/c15-7-11(12(17)8-1-2-8)13(18)16-10-5-3-9(4-6-10)14(19)20/h3-6,8,16,18H,1-2H2,(H,19,20)/b13-11-