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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-])C

InChI

InChI=1S/C20H23N5O3/c1-13-7-8-15(11-14(13)2)21-16-12-17(24-9-5-3-4-6-10-24)18-19(23-28-22-18)20(16)25(26)27/h7-8,11-12,21H,3-6,9-10H2,1-2H3