[2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [2-[(4-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-(4-bromoanilino)-2-oxo-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [2-(4-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromoanilino)-2-oxoethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-(4-bromoanilino)-2-keto-ethyl] ester Formula: C17H16BrN3O5 MolecularWeight: 422.23004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O5/c1-20(2)14-8-3-11(9-15(14)21(24)25)17(23)26-10-16(22)19-13-6-4-12(18)5-7-13/h3-9H,10H2,1-2H3,(H,19,22)