[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-nitroanilino)valeric acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C19H18BrN3O6 MolecularWeight: 464.26672

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CCCC(=O)OCC(=O)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CCCC(=O)OCC(=O)NC2=CC=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H18BrN3O6/c20-13-4-6-14(7-5-13)22-18(25)12-29-19(26)3-1-2-17(24)21-15-8-10-16(11-9-15)23(27)28/h4-11H,1-3,12H2,(H,21,24)(H,22,25)