N-(4-iodophenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-(4-iodophenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(4-iodophenyl)-7-(4-methyl-1-piperidyl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-(4-iodophenyl)-7-(4-methyl-1-piperidinyl)-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(4-iodophenyl)-7-(4-methylpiperidin-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: (4-iodophenyl)-[7-(4-methylpiperidino)-4-nitro-benzofurazan-5-yl]amine Formula: C18H18IN5O3 MolecularWeight: 479.27169

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)I

Isomeric SMILES

CC1CCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=C(C=C4)I

InChI

InChI=1S/C18H18IN5O3/c1-11-6-8-23(9-7-11)15-10-14(20-13-4-2-12(19)3-5-13)18(24(25)26)17-16(15)21-27-22-17/h2-5,10-11,20H,6-9H2,1H3