[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate

Systemtic Name: [2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-bromanylphenoxy)butanoate Openeye Name: [2-(4-nitroanilino)-2-oxo-ethyl] 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid [2-(4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-nitroanilino)-2-oxoethyl] 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid [2-keto-2-(4-nitroanilino)ethyl] ester Formula: C18H17BrN2O6 MolecularWeight: 437.24138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrN2O6/c19-13-3-1-4-16(11-13)26-10-2-5-18(23)27-12-17(22)20-14-6-8-15(9-7-14)21(24)25/h1,3-4,6-9,11H,2,5,10,12H2,(H,20,22)