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

Systemtic Name: N7-(4-dimethylaminophenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine Openeye Name: N5-benzyl-N7-(4-dimethylaminophenyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine CAS Name: N7-(4-dimethylaminophenyl)-4-nitro-N5-(phenylmethyl)-2,1,3-benzoxadiazole-5,7-diamine IUPAC Name: 5-N-benzyl-7-N-(4-dimethylaminophenyl)-4-nitro-2,1,3-benzoxadiazole-5,7-diamine Traditional Name: [4-[[6-(benzylamino)-7-nitro-benzofurazan-4-yl]amino]phenyl]-dimethyl-amine Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC2=CC(=C(C3=NON=C23)[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C21H20N6O3/c1-26(2)16-10-8-15(9-11-16)23-17-12-18(22-13-14-6-4-3-5-7-14)21(27(28)29)20-19(17)24-30-25-20/h3-12,22-23H,13H2,1-2H3