5-(4-methylpiperazin-1-yl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine

Systemtic Name: 5-(4-methylpiperazin-1-yl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine Openeye Name: 5-(4-methylpiperazin-1-yl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine CAS Name: 5-(4-methyl-1-piperazinyl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine IUPAC Name: 5-(4-methylpiperazin-1-yl)-4-nitro-N-(3-nitrophenyl)-2,1,3-benzoxadiazol-7-amine Traditional Name: [6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]-(3-nitrophenyl)amine Formula: C17H17N7O5 MolecularWeight: 399.36078

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC(=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N7O5/c1-21-5-7-22(8-6-21)14-10-13(15-16(20-29-19-15)17(14)24(27)28)18-11-3-2-4-12(9-11)23(25)26/h2-4,9-10,18H,5-8H2,1H3