(2-methyl-2-nitro-1-oxidanylidene-1-phenyl-octan-4-yl) ethanoate

Systemtic Name: (2-methyl-2-nitro-1-oxidanylidene-1-phenyl-octan-4-yl) ethanoate Openeye Name: 1-(2-methyl-2-nitro-3-oxo-3-phenyl-propyl)pentyl acetate CAS Name: acetic acid (2-methyl-2-nitro-1-oxo-1-phenyloctan-4-yl) ester IUPAC Name: (2-methyl-2-nitro-1-oxo-1-phenyloctan-4-yl) acetate Traditional Name: acetic acid 1-(3-keto-2-methyl-2-nitro-3-phenyl-propyl)pentyl ester Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-4-5-11-15(23-13(2)19)12-17(3,18(21)22)16(20)14-9-7-6-8-10-14/h6-10,15H,4-5,11-12H2,1-3H3