methyl 2-nitro-3-(2-oxidanylideneoctyl)benzoate

Systemtic Name: methyl 2-nitro-3-(2-oxidanylideneoctyl)benzoate Openeye Name: methyl 2-nitro-3-(2-oxooctyl)benzoate CAS Name: 2-nitro-3-(2-oxooctyl)benzoic acid methyl ester IUPAC Name: methyl 2-nitro-3-(2-oxooctyl)benzoate Traditional Name: 3-(2-ketooctyl)-2-nitro-benzoic acid methyl ester Formula: C16H21NO5 MolecularWeight: 307.34164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5/c1-3-4-5-6-9-13(18)11-12-8-7-10-14(16(19)22-2)15(12)17(20)21/h7-8,10H,3-6,9,11H2,1-2H3