N-(3-chloranyl-4-methyl-phenyl)-4-nitro-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-4-nitro-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(3-chloro-4-methyl-phenyl)-4-nitro-7-(1-piperidyl)-2,1,3-benzoxadiazol-5-amine CAS Name: N-(3-chloro-4-methylphenyl)-4-nitro-7-(1-piperidinyl)-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(3-chloro-4-methylphenyl)-4-nitro-7-piperidin-1-yl-2,1,3-benzoxadiazol-5-amine Traditional Name: (3-chloro-4-methyl-phenyl)-(4-nitro-7-piperidino-benzofurazan-5-yl)amine Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCC4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCC4)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H18ClN5O3/c1-11-5-6-12(9-13(11)19)20-14-10-15(23-7-3-2-4-8-23)16-17(22-27-21-16)18(14)24(25)26/h5-6,9-10,20H,2-4,7-8H2,1H3