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

Systemtic Name: (6-methyl-3-nitro-2-oxidanylidene-1H-pyridin-4-yl) 4-phenylbutanoate Openeye Name: (6-methyl-3-nitro-2-oxo-1H-pyridin-4-yl) 4-phenylbutanoate CAS Name: 4-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) 4-phenylbutanoate Traditional Name: 4-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:

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)CCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C(=O)N1)[N+](=O)[O-])OC(=O)CCCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O5/c1-11-10-13(15(18(21)22)16(20)17-11)23-14(19)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,20)