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

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-methyl-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5/c1-11-8-9-14(10-15(11)18(21)22)17(20)23-12(2)16(19)13-6-4-3-5-7-13/h3-10,12H,1-2H3