4,6-dinitro-1-oxidanyl-2,3-diphenyl-benzotriazole

Systemtic Name: 4,6-dinitro-1-oxidanyl-2,3-diphenyl-benzotriazole Openeye Name: 1-hydroxy-4,6-dinitro-2,3-diphenyl-benzotriazole CAS Name: 1-hydroxy-4,6-dinitro-2,3-diphenylbenzotriazole IUPAC Name: 1-hydroxy-4,6-dinitro-2,3-diphenylbenzotriazole Traditional Name: 1-hydroxy-4,6-dinitro-2,3-diphenyl-benzotriazole Formula: C18H13N5O5 MolecularWeight: 379.32632

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=C(C=C3N(N2C4=CC=CC=C4)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=C(C=C3N(N2C4=CC=CC=C4)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O5/c24-21-16-11-15(22(25)26)12-17(23(27)28)18(16)19(13-7-3-1-4-8-13)20(21)14-9-5-2-6-10-14/h1-12,24H