N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrole-2-carboxamide

Systemtic Name: N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrole-2-carboxamide Openeye Name: N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carboxamide CAS Name: N-(2-cyanoethyl)-1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolecarboxamide IUPAC Name: N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide Traditional Name: N-(2-cyanoethyl)-1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carboxamide Formula: C15H16N6O4 MolecularWeight: 345.318749

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC#N)NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)[15NH]CCC#N)NC(=O)C2=CC(=CN2C)[N+](=O)[O-]

InChI

InChI=1S/C15H16N6O4/c1-19-8-10(6-12(19)14(22)17-5-3-4-16)18-15(23)13-7-11(21(24)25)9-20(13)2/h6-9H,3,5H2,1-2H3,(H,17,22)(H,18,23)/i17+1