4,6-dinitro-1-oxidanyl-N,2-bis(phenylmethyl)indazol-3-imine

Systemtic Name: 4,6-dinitro-1-oxidanyl-N,2-bis(phenylmethyl)indazol-3-imine Openeye Name: N,2-dibenzyl-1-hydroxy-4,6-dinitro-indazol-3-imine CAS Name: 1-hydroxy-4,6-dinitro-N,2-bis(phenylmethyl)-3-indazolimine IUPAC Name: N,2-dibenzyl-1-hydroxy-4,6-dinitroindazol-3-imine Traditional Name: benzyl-(2-benzyl-1-hydroxy-4,6-dinitro-indazolin-3-ylidene)amine Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN=C2C3=C(C=C(C=C3N(N2CC4=CC=CC=C4)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN=C2C3=C(C=C(C=C3N(N2CC4=CC=CC=C4)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5/c27-24-18-11-17(25(28)29)12-19(26(30)31)20(18)21(22-13-15-7-3-1-4-8-15)23(24)14-16-9-5-2-6-10-16/h1-12,27H,13-14H2