N-(2-chlorophenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-(2-chlorophenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(2-chlorophenyl)-7-[(3S)-3-methyl-1-piperidyl]-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-(2-chlorophenyl)-7-[(3S)-3-methyl-1-piperidinyl]-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(2-chlorophenyl)-7-[(3S)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: (2-chlorophenyl)-[7-[(3S)-3-methylpiperidino]-4-nitro-benzofurazan-5-yl]amine Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=C4Cl

Isomeric SMILES

C[C@H]1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=C4Cl

InChI

InChI=1S/C18H18ClN5O3/c1-11-5-4-8-23(10-11)15-9-14(20-13-7-3-2-6-12(13)19)18(24(25)26)17-16(15)21-27-22-17/h2-3,6-7,9,11,20H,4-5,8,10H2,1H3/t11-/m0/s1