(3-methyl-4-oxidanylidene-4-phenyl-butyl) 3,5-dinitrobenzoate

Systemtic Name: (3-methyl-4-oxidanylidene-4-phenyl-butyl) 3,5-dinitrobenzoate Openeye Name: (3-methyl-4-oxo-4-phenyl-butyl) 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid (3-methyl-4-oxo-4-phenylbutyl) ester IUPAC Name: (3-methyl-4-oxo-4-phenylbutyl) 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid (4-keto-3-methyl-4-phenyl-butyl) ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O7/c1-12(17(21)13-5-3-2-4-6-13)7-8-27-18(22)14-9-15(19(23)24)11-16(10-14)20(25)26/h2-6,9-12H,7-8H2,1H3