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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C4=[N+](ON=C34)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C4=[N+](ON=C34)[O-])[N+](=O)[O-]

InChI

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