[1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(2-chloranyl-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(2-methoxy-5-methyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 4-(2-methoxy-5-methyl-phenyl)-4-oxo-butanoate CAS Name: 4-(2-methoxy-5-methylphenyl)-4-oxobutanoic acid [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-chloro-4-nitroanilino)-1-oxopropan-2-yl] 4-(2-methoxy-5-methylphenyl)-4-oxobutanoate Traditional Name: 4-keto-4-(2-methoxy-5-methyl-phenyl)butyric acid [2-(2-chloro-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClN2O7 MolecularWeight: 448.85364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC(=C(C=C1)OC)C(=O)CCC(=O)OC(C)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN2O7/c1-12-4-8-19(30-3)15(10-12)18(25)7-9-20(26)31-13(2)21(27)23-17-6-5-14(24(28)29)11-16(17)22/h4-6,8,10-11,13H,7,9H2,1-3H3,(H,23,27)