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

Systemtic Name: (1-oxidanylidene-1-phenyl-butan-2-yl) 3-methyl-4-nitro-benzoate Openeye Name: 1-benzoylpropyl 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (1-oxo-1-phenylbutan-2-yl) ester IUPAC Name: (1-oxo-1-phenylbutan-2-yl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid 1-benzoylpropyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-3-16(17(20)13-7-5-4-6-8-13)24-18(21)14-9-10-15(19(22)23)12(2)11-14/h4-11,16H,3H2,1-2H3