(4-bromophenyl)methyl 4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-bromophenyl)methyl 4-[(4-methoxy-2-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-bromophenyl)methyl 4-(4-methoxy-2-nitro-anilino)-4-oxo-butanoate CAS Name: 4-(4-methoxy-2-nitroanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(4-methoxy-2-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-methoxy-2-nitro-anilino)butyric acid (4-bromobenzyl) ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCC(=O)OCC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H17BrN2O6/c1-26-14-6-7-15(16(10-14)21(24)25)20-17(22)8-9-18(23)27-11-12-2-4-13(19)5-3-12/h2-7,10H,8-9,11H2,1H3,(H,20,22)