5-[2-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 5-[2-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Openeye Name: 5-[2-(m-tolyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 5-[2-(3-methylphenyl)-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 5-[2-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Traditional Name: 5-[2-(m-tolyl)piperazino]-4-nitro-benzofurazan Formula: C17H17N5O3 MolecularWeight: 339.34858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CNCCN2C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC(=C1)C2CNCCN2C3=C(C4=NON=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H17N5O3/c1-11-3-2-4-12(9-11)15-10-18-7-8-21(15)14-6-5-13-16(20-25-19-13)17(14)22(23)24/h2-6,9,15,18H,7-8,10H2,1H3