methyl (2E)-4-methyl-4-nitro-7-oxidanylidene-2-(phenylmethylidene)octanoate

Systemtic Name: methyl (2E)-4-methyl-4-nitro-7-oxidanylidene-2-(phenylmethylidene)octanoate Openeye Name: methyl (2E)-2-benzylidene-4-methyl-4-nitro-7-oxo-octanoate CAS Name: (2E)-4-methyl-4-nitro-7-oxo-2-(phenylmethylene)octanoic acid methyl ester IUPAC Name: methyl (2E)-2-benzylidene-4-methyl-4-nitro-7-oxooctanoate Traditional Name: (E)-2-(5-keto-2-methyl-2-nitro-hexyl)-3-phenyl-acrylic acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(C)(CC(=CC1=CC=CC=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-13(19)9-10-17(2,18(21)22)12-15(16(20)23-3)11-14-7-5-4-6-8-14/h4-8,11H,9-10,12H2,1-3H3/b15-11+