2-[4-[[4-(4-methyl-6-oxidanylidene-1,2-diazinan-3-yl)-2-nitro-phenyl]amino]butyl]guanidine

Systemtic Name: 2-[4-[[4-(4-methyl-6-oxidanylidene-1,2-diazinan-3-yl)-2-nitro-phenyl]amino]butyl]guanidine Openeye Name: 2-[4-[4-(4-methyl-6-oxo-hexahydropyridazin-3-yl)-2-nitro-anilino]butyl]guanidine CAS Name: 2-[4-[4-(4-methyl-6-oxo-3-diazinanyl)-2-nitroanilino]butyl]guanidine IUPAC Name: 2-[4-[4-(4-methyl-6-oxodiazinan-3-yl)-2-nitroanilino]butyl]guanidine Traditional Name: 2-[4-[4-(6-keto-4-methyl-hexahydropyridazin-3-yl)-2-nitro-anilino]butyl]guanidine Formula: C16H25N7O3 MolecularWeight: 363.4148

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)NNC1C2=CC(=C(C=C2)NCCCCN=C(N)N)[N+](=O)[O-]

Isomeric SMILES

CC1CC(=O)NNC1C2=CC(=C(C=C2)NCCCCN=C(N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H25N7O3/c1-10-8-14(24)21-22-15(10)11-4-5-12(13(9-11)23(25)26)19-6-2-3-7-20-16(17)18/h4-5,9-10,15,19,22H,2-3,6-8H2,1H3,(H,21,24)(H4,17,18,20)