[3-(2-methylpropyl)phenyl]methyl (2E)-2-hydroxyimino-10-nitro-decanoate

Systemtic Name: [3-(2-methylpropyl)phenyl]methyl (2E)-2-hydroxyimino-10-nitro-decanoate Openeye Name: (3-isobutylphenyl)methyl (2E)-2-hydroxyimino-10-nitro-decanoate CAS Name: (2E)-2-hydroxyimino-10-nitrodecanoic acid [3-(2-methylpropyl)phenyl]methyl ester IUPAC Name: [3-(2-methylpropyl)phenyl]methyl (2E)-2-hydroxyimino-10-nitrodecanoate Traditional Name: (2E)-2-hydroximino-10-nitro-capric acid (3-isobutylbenzyl) ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=CC=C1)COC(=O)C(=NO)CCCCCCCC[N+](=O)[O-]

Isomeric SMILES

CC(C)CC1=CC(=CC=C1)COC(=O)/C(=N/O)/CCCCCCCC[N+](=O)[O-]

InChI

InChI=1S/C21H32N2O5/c1-17(2)14-18-10-9-11-19(15-18)16-28-21(24)20(22-25)12-7-5-3-4-6-8-13-23(26)27/h9-11,15,17,25H,3-8,12-14,16H2,1-2H3/b22-20+