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

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

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3/c1-12-6-8-24(9-7-12)17-11-16(21-15-5-4-13(2)14(3)10-15)20(25(26)27)19-18(17)22-28-23-19/h4-5,10-12,21H,6-9H2,1-3H3