2-[6-chloranyl-4-(4-methylphenyl)quinazolin-2-yl]-1-nitro-guanidine

Systemtic Name: 2-[6-chloranyl-4-(4-methylphenyl)quinazolin-2-yl]-1-nitro-guanidine Openeye Name: 2-[6-chloro-4-(p-tolyl)quinazolin-2-yl]-1-nitro-guanidine CAS Name: 2-[6-chloro-4-(4-methylphenyl)-2-quinazolinyl]-1-nitroguanidine IUPAC Name: 2-[6-chloro-4-(4-methylphenyl)quinazolin-2-yl]-1-nitroguanidine Traditional Name: 2-[6-chloro-4-(p-tolyl)quinazolin-2-yl]-1-nitro-guanidine Formula: C16H13ClN6O2 MolecularWeight: 356.76642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N=C(N)N[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)/N=C(\N)/N[N+](=O)[O-]

InChI

InChI=1S/C16H13ClN6O2/c1-9-2-4-10(5-3-9)14-12-8-11(17)6-7-13(12)19-16(20-14)21-15(18)22-23(24)25/h2-8H,1H3,(H3,18,19,20,21,22)