N-[5-[(4-azanyl-4-azanylidene-butan-2-yl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrole-2-carboxamide

Systemtic Name: N-[5-[(4-azanyl-4-azanylidene-butan-2-yl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrole-2-carboxamide Openeye Name: N-[5-[(3-amino-3-imino-1-methyl-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carboxamide CAS Name: N-[5-[[(4-amino-4-iminobutan-2-yl)amino]-oxomethyl]-1-methyl-3-pyrrolyl]-1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolecarboxamide IUPAC Name: N-[5-[(4-amino-4-iminobutan-2-yl)carbamoyl]-1-methylpyrrol-3-yl]-1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carboxamide Traditional Name: N-[5-[(3-amino-3-imino-1-methyl-propyl)carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carboxamide Formula: C22H27N9O5 MolecularWeight: 497.50708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=N)N)NC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(CC(=N)N)NC(=O)C1=CC(=CN1C)NC(=O)C2=CC(=CN2C)NC(=O)C3=CC(=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C22H27N9O5/c1-12(5-19(23)24)25-20(32)16-6-13(9-28(16)2)26-21(33)17-7-14(10-29(17)3)27-22(34)18-8-15(31(35)36)11-30(18)4/h6-12H,5H2,1-4H3,(H3,23,24)(H,25,32)(H,26,33)(H,27,34)