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

Systemtic Name: N-(2-methoxy-5-nitro-phenyl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Openeye Name: N-(2-methoxy-5-nitro-phenyl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine CAS Name: N-(2-methoxy-5-nitrophenyl)-5-(4-methyl-1-piperazinyl)-4-nitro-2,1,3-benzoxadiazol-7-amine IUPAC Name: N-(2-methoxy-5-nitrophenyl)-5-(4-methylpiperazin-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-amine Traditional Name: (2-methoxy-5-nitro-phenyl)-[6-(4-methylpiperazino)-7-nitro-benzofurazan-4-yl]amine Formula: C18H19N7O6 MolecularWeight: 429.38676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N7O6/c1-22-5-7-23(8-6-22)14-10-13(16-17(21-31-20-16)18(14)25(28)29)19-12-9-11(24(26)27)3-4-15(12)30-2/h3-4,9-10,19H,5-8H2,1-2H3