[2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(2-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2-methyl-3-nitro-anilino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [2-(2-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-3-nitroanilino)-2-oxoethyl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-2-(2-methyl-3-nitro-anilino)ethyl] ester Formula: C20H19BrN2O7 MolecularWeight: 479.27806

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)COC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

InChI=1S/C20H19BrN2O7/c1-12-15(4-3-5-16(12)23(27)28)22-19(25)11-30-20(26)9-7-17(24)14-10-13(21)6-8-18(14)29-2/h3-6,8,10H,7,9,11H2,1-2H3,(H,22,25)