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

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrol-2-yl)carbonylamino]pyrrol-2-yl]carbonylamino]pyrrole-2-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-1-methyl-4-[[[1-methyl-4-[[(1-methyl-4-nitro-2-pyrrolyl)-oxomethyl]amino]-2-pyrrolyl]-oxomethyl]amino]-2-pyrrolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitropyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide Traditional Name: N-(3-amino-3-imino-propyl)-1-methyl-4-[[1-methyl-4-[(1-methyl-4-nitro-pyrrole-2-carbonyl)amino]pyrrole-2-carbonyl]amino]pyrrole-2-carboxamide Formula: C21H25N9O5 MolecularWeight: 483.4805

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N9O5/c1-27-9-12(6-15(27)19(31)24-5-4-18(22)23)25-20(32)16-7-13(10-28(16)2)26-21(33)17-8-14(30(34)35)11-29(17)3/h6-11H,4-5H2,1-3H3,(H3,22,23)(H,24,31)(H,25,32)(H,26,33)