4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium

Systemtic Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-[4-(2-methoxyphenyl)-1-piperazinyl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-[4-(2-methoxyphenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-[4-(2-methoxyphenyl)piperazino]-4-nitro-1-oxido-benzofurazan-1-ium Formula: C17H17N5O5 MolecularWeight: 371.34738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O5/c1-26-15-5-3-2-4-12(15)19-8-10-20(11-9-19)14-7-6-13(21(23)24)16-17(14)22(25)27-18-16/h2-7H,8-11H2,1H3