[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(4-nitroanilino)-4-oxo-butanoate CAS Name: 4-(4-nitroanilino)-4-oxobutanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-(4-nitroanilino)-4-oxobutanoate Traditional Name: 4-keto-4-(4-nitroanilino)butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H15BrN2O6 MolecularWeight: 435.2255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H15BrN2O6/c19-13-3-1-12(2-4-13)16(22)11-27-18(24)10-9-17(23)20-14-5-7-15(8-6-14)21(25)26/h1-8H,9-11H2,(H,20,23)