(4-bromophenyl)methyl 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (4-bromophenyl)methyl 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (4-bromophenyl)methyl 4-(4-nitroanilino)-4-oxo-butanoate CAS Name: 4-(4-nitroanilino)-4-oxobutanoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(4-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-nitroanilino)butyric acid (4-bromobenzyl) ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrN2O5/c18-13-3-1-12(2-4-13)11-25-17(22)10-9-16(21)19-14-5-7-15(8-6-14)20(23)24/h1-8H,9-11H2,(H,19,21)