(6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 2-phenylbutanoate

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 2-phenylbutanoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-phenylbutanoate CAS Name: 2-phenylbutanoic acid (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) ester IUPAC Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 2-phenylbutanoate Traditional Name: 2-phenylbutyric acid (2-keto-6-methyl-3-nitro-1H-pyridin-4-yl) ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-]

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)OC2=C(C(=O)NC(=C2)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O5/c1-3-12(11-7-5-4-6-8-11)16(20)23-13-9-10(2)17-15(19)14(13)18(21)22/h4-9,12H,3H2,1-2H3,(H,17,19)