4-nitro-N5,N7-bis(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine

Systemtic Name: 4-nitro-N5,N7-bis(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5,N7-dibenzyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: 4-nitro-N5,N7-bis(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N,7-N-dibenzyl-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amine Formula: C20H17N5O3 MolecularWeight: 375.38068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C20H17N5O3/c26-25(27)20-17(22-13-15-9-5-2-6-10-15)11-16(18-19(20)24-28-23-18)21-12-14-7-3-1-4-8-14/h1-11,21-22H,12-13H2