4-[(2,3-dimethylphenyl)amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: 4-[(2,3-dimethylphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: 4-(2,3-dimethylanilino)-4-oxo-but-2-enoic acid CAS Name: 4-(2,3-dimethylanilino)-4-oxo-2-butenoic acid IUPAC Name: 4-(2,3-dimethylanilino)-4-oxobut-2-enoic acid Traditional Name: 4-(2,3-dimethylanilino)-4-keto-but-2-enoic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C=CC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C=CC(=O)O)C

InChI

InChI=1S/C12H13NO3/c1-8-4-3-5-10(9(8)2)13-11(14)6-7-12(15)16/h3-7H,1-2H3,(H,13,14)(H,15,16)