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

Systemtic Name: N-[1-(2-cyano-5-methyl-pyrrol-1-yl)-4-methyl-3-nitro-4-(phenylmethyl)pyridin-2-yl]ethanamide Openeye Name: N-[4-benzyl-1-(2-cyano-5-methyl-pyrrol-1-yl)-4-methyl-3-nitro-2-pyridyl]acetamide CAS Name: N-[1-(2-cyano-5-methyl-1-pyrrolyl)-4-methyl-3-nitro-4-(phenylmethyl)-2-pyridinyl]acetamide IUPAC Name: N-[4-benzyl-1-(2-cyano-5-methylpyrrol-1-yl)-4-methyl-3-nitropyridin-2-yl]acetamide Traditional Name: N-[4-benzyl-1-(2-cyano-5-methyl-pyrrol-1-yl)-4-methyl-3-nitro-2-pyridyl]acetamide Formula: C21H21N5O3 MolecularWeight: 391.42314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1N2C=CC(C(=C2NC(=O)C)[N+](=O)[O-])(C)CC3=CC=CC=C3)C#N

Isomeric SMILES

CC1=CC=C(N1N2C=CC(C(=C2NC(=O)C)[N+](=O)[O-])(C)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C21H21N5O3/c1-15-9-10-18(14-22)25(15)24-12-11-21(3,13-17-7-5-4-6-8-17)19(26(28)29)20(24)23-16(2)27/h4-12H,13H2,1-3H3,(H,23,27)