(1-oxidanylidene-1-phenyl-propan-2-yl) 4-methyl-3,5-dinitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-methyl-3,5-dinitro-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-methyl-3,5-dinitro-benzoate CAS Name: 4-methyl-3,5-dinitrobenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-methyl-3,5-dinitrobenzoate Traditional Name: 4-methyl-3,5-dinitro-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C17H14N2O7 MolecularWeight: 358.30226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC(C)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1[N+](=O)[O-])C(=O)OC(C)C(=O)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O7/c1-10-14(18(22)23)8-13(9-15(10)19(24)25)17(21)26-11(2)16(20)12-6-4-3-5-7-12/h3-9,11H,1-2H3