3,5-bis(4-nitrophenyl)-1-phenyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[5,1-i]benzotriazol-2-one

Systemtic Name: 3,5-bis(4-nitrophenyl)-1-phenyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[5,1-i]benzotriazol-2-one Openeye Name: 3,5-bis(4-nitrophenyl)-1-phenyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[5,1-i]benzotriazol-2-one CAS Name: 3,5-bis(4-nitrophenyl)-1-phenyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[5,1-i]benzotriazol-2-one IUPAC Name: 3,5-bis(4-nitrophenyl)-1-phenyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[5,1-i]benzotriazol-2-one Traditional Name: 3,5-bis(4-nitrophenyl)-1-phenyl-7,8,9,10-tetrahydro-[1,2,4]triazolo[5,1-i]benzotriazol-2-one Formula: C25H21N7O5 MolecularWeight: 499.47814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC23C(=NN(N2N(C(=O)N3C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-])C1

Isomeric SMILES

C1CCC23C(=NN(N2N(C(=O)N3C4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)[N+](=O)[O-])C1

InChI

InChI=1S/C25H21N7O5/c33-24-27(18-6-2-1-3-7-18)25-17-5-4-8-23(25)26-29(20-11-15-22(16-12-20)31(36)37)32(25)28(24)19-9-13-21(14-10-19)30(34)35/h1-3,6-7,9-16H,4-5,8,17H2