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

Systemtic Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-2-oxidanylidene-pyridine-3-carbonitrile Openeye Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxo-ethyl]-5-nitro-2-oxo-pyridine-3-carbonitrile CAS Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]-3-pyrrolyl]-2-oxoethyl]-5-nitro-2-oxo-3-pyridinecarbonitrile IUPAC Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]pyrrol-3-yl]-2-oxoethyl]-5-nitro-2-oxopyridine-3-carbonitrile Traditional Name: 1-[2-[2,5-dimethyl-1-[(1R)-1-phenylethyl]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(N1C(C)C2=CC=CC=C2)C)C(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1[C@H](C)C2=CC=CC=C2)C)C(=O)CN3C=C(C=C(C3=O)C#N)[N+](=O)[O-]

InChI

InChI=1S/C22H20N4O4/c1-14-9-20(16(3)25(14)15(2)17-7-5-4-6-8-17)21(27)13-24-12-19(26(29)30)10-18(11-23)22(24)28/h4-10,12,15H,13H2,1-3H3/t15-/m1/s1