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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20BrN5O3/c1-12-6-7-13(10-14(12)20)21-15-11-16(24-8-4-2-3-5-9-24)17-18(23-28-22-17)19(15)25(26)27/h6-7,10-11,21H,2-5,8-9H2,1H3