[1-oxidanylidene-1-[(phenylmethyl)amino]propan-2-yl] 4-bromanyl-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NCC1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O5/c1-11(16(21)19-10-12-5-3-2-4-6-12)25-17(22)13-7-8-14(18)15(9-13)20(23)24/h2-9,11H,10H2,1H3,(H,19,21)