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

Systemtic Name: 7-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Openeye Name: 7-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole CAS Name: 7-[4-[(2,5-dimethoxyphenyl)methyl]-1-piperazinyl]-4-nitro-2,1,3-benzoxadiazole IUPAC Name: 7-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole Traditional Name: 4-[4-(2,5-dimethoxybenzyl)piperazino]-7-nitro-benzofurazan Formula: C19H21N5O5 MolecularWeight: 399.40054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)CN2CCN(CC2)C3=CC=C(C4=NON=C34)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O5/c1-27-14-3-6-17(28-2)13(11-14)12-22-7-9-23(10-8-22)15-4-5-16(24(25)26)19-18(15)20-29-21-19/h3-6,11H,7-10,12H2,1-2H3