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

Systemtic Name: N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxamide Openeye Name: N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide CAS Name: N-(2-cyanoethyl)-1-methyl-4-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolecarboxamide IUPAC Name: N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide Traditional Name: N-(2-cyanoethyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide Formula: C21H22N8O5 MolecularWeight: 466.44998

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NCCC#N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C=C1C(=O)NCCC#N)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N8O5/c1-26-10-13(7-16(26)19(30)23-6-4-5-22)24-20(31)17-8-14(11-27(17)2)25-21(32)18-9-15(29(33)34)12-28(18)3/h7-12H,4,6H2,1-3H3,(H,23,30)(H,24,31)(H,25,32)