methyl 2-[nitro(phenyl)methyl]-4-oxidanylidene-4-phenyl-butanoate

Systemtic Name: methyl 2-[nitro(phenyl)methyl]-4-oxidanylidene-4-phenyl-butanoate Openeye Name: methyl 2-[nitro(phenyl)methyl]-4-oxo-4-phenyl-butanoate CAS Name: 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoic acid methyl ester IUPAC Name: methyl 2-[nitro(phenyl)methyl]-4-oxo-4-phenylbutanoate Traditional Name: 4-keto-2-[nitro(phenyl)methyl]-4-phenyl-butyric acid methyl ester Formula: C18H17NO5 MolecularWeight: 327.33128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17NO5/c1-24-18(21)15(12-16(20)13-8-4-2-5-9-13)17(19(22)23)14-10-6-3-7-11-14/h2-11,15,17H,12H2,1H3