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

Systemtic Name: 7-(azepan-1-yl)-N-(2-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine Openeye Name: 7-(azepan-1-yl)-N-(2-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine CAS Name: 7-(1-azepanyl)-N-(2-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine IUPAC Name: 7-(azepan-1-yl)-N-(2-chlorophenyl)-4-nitro-2,1,3-benzoxadiazol-5-amine Traditional Name: [7-(azepan-1-yl)-4-nitro-benzofurazan-5-yl]-(2-chlorophenyl)amine Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=C4Cl

Isomeric SMILES

C1CCCN(CC1)C2=CC(=C(C3=NON=C23)[N+](=O)[O-])NC4=CC=CC=C4Cl

InChI

InChI=1S/C18H18ClN5O3/c19-12-7-3-4-8-13(12)20-14-11-15(23-9-5-1-2-6-10-23)16-17(22-27-21-16)18(14)24(25)26/h3-4,7-8,11,20H,1-2,5-6,9-10H2