(E)-2-[(4,5-dimethyl-2-nitro-phenyl)amino]-4-(3-methoxyphenyl)-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-2-[(4,5-dimethyl-2-nitro-phenyl)amino]-4-(3-methoxyphenyl)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-2-(4,5-dimethyl-2-nitro-anilino)-4-(3-methoxyphenyl)-4-oxo-but-2-enoic acid CAS Name: (E)-2-(4,5-dimethyl-2-nitroanilino)-4-(3-methoxyphenyl)-4-oxo-2-butenoic acid IUPAC Name: (E)-2-(4,5-dimethyl-2-nitroanilino)-4-(3-methoxyphenyl)-4-oxobut-2-enoic acid Traditional Name: (E)-2-(4,5-dimethyl-2-nitro-anilino)-4-keto-4-(3-methoxyphenyl)but-2-enoic acid Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=CC(=O)C2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])N/C(=C/C(=O)C2=CC(=CC=C2)OC)/C(=O)O

InChI

InChI=1S/C19H18N2O6/c1-11-7-15(17(21(25)26)8-12(11)2)20-16(19(23)24)10-18(22)13-5-4-6-14(9-13)27-3/h4-10,20H,1-3H3,(H,23,24)/b16-10+