2-(2-chloranyl-4-nitro-phenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine Openeye Name: 2-(2-chloro-4-nitro-phenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine CAS Name: 2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)-4-quinazolinamine IUPAC Name: 2-(2-chloro-4-nitrophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine Traditional Name: [2-(2-chloro-4-nitro-phenyl)quinazolin-4-yl]-(5-methyl-1H-1,2,4-triazol-3-yl)amine Formula: C17H12ClN7O2 MolecularWeight: 381.77588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=NC(=NN1)NC2=NC(=NC3=CC=CC=C32)C4=C(C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H12ClN7O2/c1-9-19-17(24-23-9)22-16-12-4-2-3-5-14(12)20-15(21-16)11-7-6-10(25(26)27)8-13(11)18/h2-8H,1H3,(H2,19,20,21,22,23,24)