6-(benzotriazol-1-yl)-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine

Systemtic Name: 6-(benzotriazol-1-yl)-N-(3-chloranyl-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine Openeye Name: 6-(benzotriazol-1-yl)-N-(3-chloro-4-methyl-phenyl)-5-nitro-pyrimidin-4-amine CAS Name: 6-(1-benzotriazolyl)-N-(3-chloro-4-methylphenyl)-5-nitro-4-pyrimidinamine IUPAC Name: 6-(benzotriazol-1-yl)-N-(3-chloro-4-methylphenyl)-5-nitropyrimidin-4-amine Traditional Name: [6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]-(3-chloro-4-methyl-phenyl)amine Formula: C17H12ClN7O2 MolecularWeight: 381.77588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3)Cl

InChI

InChI=1S/C17H12ClN7O2/c1-10-6-7-11(8-12(10)18)21-16-15(25(26)27)17(20-9-19-16)24-14-5-3-2-4-13(14)22-23-24/h2-9H,1H3,(H,19,20,21)