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

Systemtic Name: 4-[4-(3-methylphenyl)piperazin-1-yl]-7-nitro-3-oxidanidyl-2,1,3-benzoxadiazol-3-ium Openeye Name: 4-[4-(m-tolyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium CAS Name: 4-[4-(3-methylphenyl)-1-piperazinyl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium IUPAC Name: 4-[4-(3-methylphenyl)piperazin-1-yl]-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium Traditional Name: 7-[4-(m-tolyl)piperazino]-4-nitro-1-oxido-benzofurazan-1-ium Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC=C1)N2CCN(CC2)C3=CC=C(C4=NO[N+](=C34)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O4/c1-12-3-2-4-13(11-12)19-7-9-20(10-8-19)15-6-5-14(21(23)24)16-17(15)22(25)26-18-16/h2-6,11H,7-10H2,1H3