N-(3-azanyl-3-azanylidene-propyl)-1-methyl-4-[2-(2-nitroimidazol-1-yl)ethanoylamino]pyrrole-2-carboxamide

Systemtic Name: N-(3-azanyl-3-azanylidene-propyl)-1-methyl-4-[2-(2-nitroimidazol-1-yl)ethanoylamino]pyrrole-2-carboxamide Openeye Name: N-(3-amino-3-imino-propyl)-1-methyl-4-[[2-(2-nitroimidazol-1-yl)acetyl]amino]pyrrole-2-carboxamide CAS Name: N-(3-amino-3-iminopropyl)-1-methyl-4-[[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]-2-pyrrolecarboxamide IUPAC Name: N-(3-amino-3-iminopropyl)-1-methyl-4-[[2-(2-nitroimidazol-1-yl)acetyl]amino]pyrrole-2-carboxamide Traditional Name: N-(3-amino-3-imino-propyl)-1-methyl-4-[[2-(2-nitroimidazol-1-yl)acetyl]amino]pyrrole-2-carboxamide Formula: C14H18N8O4 MolecularWeight: 362.34392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N8O4/c1-20-7-9(6-10(20)13(24)17-3-2-11(15)16)19-12(23)8-21-5-4-18-14(21)22(25)26/h4-7H,2-3,8H2,1H3,(H3,15,16)(H,17,24)(H,19,23)