N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide

Systemtic Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)pyrrol-2-yl]-2-(5-nitro-2-oxidanylidene-pyridin-1-yl)ethanamide Openeye Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(5-nitro-2-oxo-1-pyridyl)acetamide CAS Name: N-[3-cyano-4,5-dimethyl-1-(phenylmethyl)-2-pyrrolyl]-2-(5-nitro-2-oxo-1-pyridinyl)acetamide IUPAC Name: N-(1-benzyl-3-cyano-4,5-dimethylpyrrol-2-yl)-2-(5-nitro-2-oxopyridin-1-yl)acetamide Traditional Name: N-(1-benzyl-3-cyano-4,5-dimethyl-pyrrol-2-yl)-2-(2-keto-5-nitro-1-pyridyl)acetamide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=C1C#N)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(N(C(=C1C#N)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C21H19N5O4/c1-14-15(2)25(11-16-6-4-3-5-7-16)21(18(14)10-22)23-19(27)13-24-12-17(26(29)30)8-9-20(24)28/h3-9,12H,11,13H2,1-2H3,(H,23,27)