4,6-dinitro-1-oxidanyl-2,3-bis(phenylmethyl)benzotriazole

Systemtic Name: 4,6-dinitro-1-oxidanyl-2,3-bis(phenylmethyl)benzotriazole Openeye Name: 2,3-dibenzyl-1-hydroxy-4,6-dinitro-benzotriazole CAS Name: 1-hydroxy-4,6-dinitro-2,3-bis(phenylmethyl)benzotriazole IUPAC Name: 2,3-dibenzyl-1-hydroxy-4,6-dinitrobenzotriazole Traditional Name: 2,3-dibenzyl-1-hydroxy-4,6-dinitro-benzotriazole Formula: C20H17N5O5 MolecularWeight: 407.37948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3N(N2CC4=CC=CC=C4)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3N(N2CC4=CC=CC=C4)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O5/c26-23-18-11-17(24(27)28)12-19(25(29)30)20(18)21(13-15-7-3-1-4-8-15)22(23)14-16-9-5-2-6-10-16/h1-12,26H,13-14H2