7-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole

Systemtic Name: 7-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Openeye Name: 7-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 7-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 7-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Traditional Name: 4-[4-(2-methoxy-5-methyl-benzyl)piperazino]-7-nitro-benzofurazan Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4/c1-13-3-6-17(27-2)14(11-13)12-22-7-9-23(10-8-22)15-4-5-16(24(25)26)19-18(15)20-28-21-19/h3-6,11H,7-10,12H2,1-2H3