(7-methyl-7-nitro-8-oxidanylidene-10-phenyl-decan-5-yl) ethanoate

Systemtic Name: (7-methyl-7-nitro-8-oxidanylidene-10-phenyl-decan-5-yl) ethanoate Openeye Name: (1-butyl-3-methyl-3-nitro-4-oxo-6-phenyl-hexyl) acetate CAS Name: acetic acid (7-methyl-7-nitro-8-oxo-10-phenyldecan-5-yl) ester IUPAC Name: (7-methyl-7-nitro-8-oxo-10-phenyldecan-5-yl) acetate Traditional Name: acetic acid (1-butyl-4-keto-3-methyl-3-nitro-6-phenyl-hexyl) ester Formula: C19H27NO5 MolecularWeight: 349.42138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(C)(C(=O)CCC1=CC=CC=C1)[N+](=O)[O-])OC(=O)C

Isomeric SMILES

CCCCC(CC(C)(C(=O)CCC1=CC=CC=C1)[N+](=O)[O-])OC(=O)C

InChI

InChI=1S/C19H27NO5/c1-4-5-11-17(25-15(2)21)14-19(3,20(23)24)18(22)13-12-16-9-7-6-8-10-16/h6-10,17H,4-5,11-14H2,1-3H3