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

Systemtic Name: N-(3,4-dimethylphenyl)-7-[(3R)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: N-(3,4-dimethylphenyl)-7-[(3R)-3-methyl-1-piperidyl]-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: N-(3,4-dimethylphenyl)-7-[(3R)-3-methyl-1-piperidinyl]-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: N-(3,4-dimethylphenyl)-7-[(3R)-3-methylpiperidin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: (3,4-dimethylphenyl)-[7-[(3R)-3-methylpiperidino]-4-nitro-benzofurazan-5-yl]amine Formula: C20H23N5O3 MolecularWeight: 381.42832

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-12-5-4-8-24(11-12)17-10-16(21-15-7-6-13(2)14(3)9-15)20(25(26)27)19-18(17)22-28-23-19/h6-7,9-10,12,21H,4-5,8,11H2,1-3H3/t12-/m1/s1