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

Systemtic Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-nitro-pyridin-2-one Openeye Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-pyridin-2-one CAS Name: 1-[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]-5-nitro-2-pyridinone IUPAC Name: 1-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]-5-nitropyridin-2-one Traditional Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-2-pyridone Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C=C(C=CC3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O4/c1-15-12-19(16(2)23(15)11-10-17-6-4-3-5-7-17)20(25)14-22-13-18(24(27)28)8-9-21(22)26/h3-9,12-13H,10-11,14H2,1-2H3