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

Systemtic Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[2-(2,5-dimethyl-1-phenethyl-3-pyrrolyl)-2-oxoethyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[2-(2,5-dimethyl-1-phenethylpyrrol-3-yl)-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[2-(2,5-dimethyl-1-phenethyl-pyrrol-3-yl)-2-keto-ethyl]-2-keto-5-nitro-nicotinonitrile Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1CCC2=CC=CC=C2)C)C(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4/c1-15-10-20(16(2)25(15)9-8-17-6-4-3-5-7-17)21(27)14-24-13-19(26(29)30)11-18(12-23)22(24)28/h3-7,10-11,13H,8-9,14H2,1-2H3