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

Systemtic Name: 4-nitro-N7-phenethyl-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-4-nitro-N7-phenethyl-2,1,3-benzoxadiazole-5,7-diamine CAS Name: 4-nitro-N7-phenethyl-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-4-nitro-7-N-phenethyl-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: benzyl-[4-nitro-7-(phenethylamino)benzofurazan-5-yl]amine Formula: C21H19N5O3 MolecularWeight: 389.40726

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C21H19N5O3/c27-26(28)21-18(23-14-16-9-5-2-6-10-16)13-17(19-20(21)25-29-24-19)22-12-11-15-7-3-1-4-8-15/h1-10,13,22-23H,11-12,14H2