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

Systemtic Name: (E)-4-(4-bromophenyl)-2-[(3,4-dimethylphenyl)amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-(4-bromophenyl)-2-(3,4-dimethylanilino)-4-oxo-but-2-enoic acid CAS Name: (E)-4-(4-bromophenyl)-2-(3,4-dimethylanilino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-(4-bromophenyl)-2-(3,4-dimethylanilino)-4-oxobut-2-enoic acid Traditional Name: (E)-4-(4-bromophenyl)-2-(3,4-dimethylanilino)-4-keto-but-2-enoic acid Formula: C18H16BrNO3 MolecularWeight: 374.22854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=CC(=O)C2=CC=C(C=C2)Br)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)N/C(=C/C(=O)C2=CC=C(C=C2)Br)/C(=O)O)C

InChI

InChI=1S/C18H16BrNO3/c1-11-3-8-15(9-12(11)2)20-16(18(22)23)10-17(21)13-4-6-14(19)7-5-13/h3-10,20H,1-2H3,(H,22,23)/b16-10+