3-methyl-1-(4-nitrophenyl)-7-phenyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one

Systemtic Name: 3-methyl-1-(4-nitrophenyl)-7-phenyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one Openeye Name: 3-methyl-1-(4-nitrophenyl)-7-phenyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one CAS Name: 3-methyl-1-(4-nitrophenyl)-7-phenyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one IUPAC Name: 3-methyl-1-(4-nitrophenyl)-7-phenyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one Traditional Name: 3-methyl-1-(4-nitrophenyl)-7-phenyl-4H-[1,2,4]triazino[4,3-b][1,2,4,5]tetrazin-6-one Formula: C17H13N7O3 MolecularWeight: 363.33022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NN=C(C(=O)N2N1)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C2=NN=C(C(=O)N2N1)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C17H13N7O3/c1-11-20-22(13-7-9-14(10-8-13)24(26)27)17-19-18-15(16(25)23(17)21-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,20,21)