methyl 3-nitrooxy-4-oxidanylidene-4-phenyl-2-(phenylmethyl)butanoate

Systemtic Name: methyl 3-nitrooxy-4-oxidanylidene-4-phenyl-2-(phenylmethyl)butanoate Openeye Name: methyl 2-benzyl-3-nitrooxy-4-oxo-4-phenyl-butanoate CAS Name: 3-nitrooxy-4-oxo-4-phenyl-2-(phenylmethyl)butanoic acid methyl ester IUPAC Name: methyl 2-benzyl-3-nitrooxy-4-oxo-4-phenylbutanoate Traditional Name: 2-benzyl-4-keto-3-nitrooxy-4-phenyl-butyric acid methyl ester Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)C(C(=O)C2=CC=CC=C2)O[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)C(C(=O)C2=CC=CC=C2)O[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6/c1-24-18(21)15(12-13-8-4-2-5-9-13)17(25-19(22)23)16(20)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3