N-(3-bromanyl-4-methyl-phenyl)-7-[(3R)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-amine

Systemtic Name: N-(3-bromanyl-4-methyl-phenyl)-7-[(3R)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(3-bromo-4-methyl-phenyl)-7-[(3R)-3-methyl-1-piperidyl]-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-(3-bromo-4-methylphenyl)-7-[(3R)-3-methyl-1-piperidinyl]-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(3-bromo-4-methylphenyl)-7-[(3R)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: (3-bromo-4-methyl-phenyl)-[7-[(3R)-3-methylpiperidino]-4-nitro-benzofurazan-5-yl]amine Formula: C19H20BrN5O3 MolecularWeight: 446.2978

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC(=C(C=C4)C)Br

Isomeric SMILES

C[C@@H]1CCCN(C1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC(=C(C=C4)C)Br

InChI

InChI=1S/C19H20BrN5O3/c1-11-4-3-7-24(10-11)16-9-15(21-13-6-5-12(2)14(20)8-13)19(25(26)27)18-17(16)22-28-23-18/h5-6,8-9,11,21H,3-4,7,10H2,1-2H3/t11-/m1/s1