2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzenecarbonitrile

Systemtic Name: 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzenecarbonitrile Openeye Name: 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile CAS Name: 2-[[5-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile IUPAC Name: 2-[[5-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-7-yl]amino]benzonitrile Traditional Name: 2-[[6-(azepan-1-yl)-7-nitro-benzofurazan-4-yl]amino]benzonitrile Formula: C19H18N6O3 MolecularWeight: 378.38462

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C3=NON=C3C(=C2)NC4=CC=CC=C4C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H18N6O3/c20-12-13-7-3-4-8-14(13)21-15-11-16(24-9-5-1-2-6-10-24)19(25(26)27)18-17(15)22-28-23-18/h3-4,7-8,11,21H,1-2,5-6,9-10H2