[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 2-(methylamino)-5-nitro-benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 2-(methylamino)-5-nitro-benzoate CAS Name: 2-(methylamino)-5-nitrobenzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 2-(methylamino)-5-nitrobenzoate Traditional Name: 2-(methylamino)-5-nitro-benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C16H14BrN3O5 MolecularWeight: 408.20346

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)Br

Isomeric SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2=CC=C(C=C2)Br

InChI

InChI=1S/C16H14BrN3O5/c1-18-14-7-6-12(20(23)24)8-13(14)16(22)25-9-15(21)19-11-4-2-10(17)3-5-11/h2-8,18H,9H2,1H3,(H,19,21)