1-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one

Systemtic Name: 1-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one Openeye Name: 1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-pyridin-2-one CAS Name: 1-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-5-nitro-2-pyridinone IUPAC Name: 1-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-nitropyridin-2-one Traditional Name: 1-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-2-pyridone Formula: C20H19N3O4 MolecularWeight: 365.38256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O4/c1-14-10-18(15(2)22(14)11-16-6-4-3-5-7-16)19(24)13-21-12-17(23(26)27)8-9-20(21)25/h3-10,12H,11,13H2,1-2H3