(1-oxidanylidene-1-phenyl-propan-2-yl) 4-azanyl-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-azanyl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O5/c1-10(15(19)11-5-3-2-4-6-11)23-16(20)12-7-8-13(17)14(9-12)18(21)22/h2-10H,17H2,1H3