(3,4-dichlorophenyl)methyl 4-[(2-methyl-4-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (3,4-dichlorophenyl)methyl 4-[(2-methyl-4-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (3,4-dichlorophenyl)methyl 4-(2-methyl-4-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(2-methyl-4-nitroanilino)-4-oxobutanoic acid (3,4-dichlorophenyl)methyl ester IUPAC Name: (3,4-dichlorophenyl)methyl 4-(2-methyl-4-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methyl-4-nitro-anilino)butyric acid (3,4-dichlorobenzyl) ester Formula: C18H16Cl2N2O5 MolecularWeight: 411.23604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)OCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H16Cl2N2O5/c1-11-8-13(22(25)26)3-5-16(11)21-17(23)6-7-18(24)27-10-12-2-4-14(19)15(20)9-12/h2-5,8-9H,6-7,10H2,1H3,(H,21,23)