2-[1-[4-[4-(hydroxymethyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl]-2-nitro-phenyl]piperidin-4-yl]guanidine

Systemtic Name: 2-[1-[4-[4-(hydroxymethyl)-6-oxidanylidene-4,5-dihydro-1H-pyridazin-3-yl]-2-nitro-phenyl]piperidin-4-yl]guanidine Openeye Name: 2-[1-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-2-nitro-phenyl]-4-piperidyl]guanidine CAS Name: 2-[1-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-2-nitrophenyl]-4-piperidinyl]guanidine IUPAC Name: 2-[1-[4-[4-(hydroxymethyl)-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]-2-nitrophenyl]piperidin-4-yl]guanidine Traditional Name: 2-[1-[4-(6-keto-4-methylol-4,5-dihydro-1H-pyridazin-3-yl)-2-nitro-phenyl]-4-piperidyl]guanidine Formula: C17H23N7O4 MolecularWeight: 389.40902

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N=C(N)N)C2=C(C=C(C=C2)C3=NNC(=O)CC3CO)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1N=C(N)N)C2=C(C=C(C=C2)C3=NNC(=O)CC3CO)[N+](=O)[O-]

InChI

InChI=1S/C17H23N7O4/c18-17(19)20-12-3-5-23(6-4-12)13-2-1-10(7-14(13)24(27)28)16-11(9-25)8-15(26)21-22-16/h1-2,7,11-12,25H,3-6,8-9H2,(H,21,26)(H4,18,19,20)