(3-methyl-2-oxidanylidene-3-phenyl-butyl) 4-nitrobenzoate

Systemtic Name: (3-methyl-2-oxidanylidene-3-phenyl-butyl) 4-nitrobenzoate Openeye Name: (3-methyl-2-oxo-3-phenyl-butyl) 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid (3-methyl-2-oxo-3-phenylbutyl) ester IUPAC Name: (3-methyl-2-oxo-3-phenylbutyl) 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid (2-keto-3-methyl-3-phenyl-butyl) ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-18(2,14-6-4-3-5-7-14)16(20)12-24-17(21)13-8-10-15(11-9-13)19(22)23/h3-11H,12H2,1-2H3