[1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromophenyl)-1-oxopropan-2-yl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

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