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

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15BrN2O5/c1-19(2)15-8-7-13(20(23)24)9-14(15)17(22)25-10-16(21)11-3-5-12(18)6-4-11/h3-9H,10H2,1-2H3