2-[4-(4-methylphenyl)-8-nitro-phthalazin-1-yl]guanidine

Systemtic Name: 2-[4-(4-methylphenyl)-8-nitro-phthalazin-1-yl]guanidine Openeye Name: 2-[8-nitro-4-(p-tolyl)phthalazin-1-yl]guanidine CAS Name: 2-[4-(4-methylphenyl)-8-nitro-1-phthalazinyl]guanidine IUPAC Name: 2-[4-(4-methylphenyl)-8-nitrophthalazin-1-yl]guanidine Traditional Name: 2-[8-nitro-4-(p-tolyl)phthalazin-1-yl]guanidine Formula: C16H14N6O2 MolecularWeight: 322.32136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(C3=C2C=CC=C3[N+](=O)[O-])N=C(N)N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(C3=C2C=CC=C3[N+](=O)[O-])N=C(N)N

InChI

InChI=1S/C16H14N6O2/c1-9-5-7-10(8-6-9)14-11-3-2-4-12(22(23)24)13(11)15(21-20-14)19-16(17)18/h2-8H,1H3,(H4,17,18,19,21)