methyl 5-(nitromethyl)-3-oxidanylidene-6-phenylmethoxy-heptanoate

Systemtic Name: methyl 5-(nitromethyl)-3-oxidanylidene-6-phenylmethoxy-heptanoate Openeye Name: methyl 6-benzyloxy-5-(nitromethyl)-3-oxo-heptanoate CAS Name: 5-(nitromethyl)-3-oxo-6-phenylmethoxyheptanoic acid methyl ester IUPAC Name: methyl 5-(nitromethyl)-3-oxo-6-phenylmethoxyheptanoate Traditional Name: 6-benzoxy-3-keto-5-(nitromethyl)enanthic acid methyl ester Formula: C16H21NO6 MolecularWeight: 323.34104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CC(=O)CC(=O)OC)C[N+](=O)[O-])OCC1=CC=CC=C1

Isomeric SMILES

CC(C(CC(=O)CC(=O)OC)C[N+](=O)[O-])OCC1=CC=CC=C1

InChI

InChI=1S/C16H21NO6/c1-12(23-11-13-6-4-3-5-7-13)14(10-17(20)21)8-15(18)9-16(19)22-2/h3-7,12,14H,8-11H2,1-2H3