[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C20H19BrN2O7 MolecularWeight: 479.27806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)CCC(=O)C2=C(C=CC(=C2)Br)OC

InChI

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