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

Systemtic Name: N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]ethanamide Openeye Name: N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide CAS Name: N-[4-[[7-(1-azepanyl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide IUPAC Name: N-[4-[[7-(azepan-1-yl)-4-nitro-2,1,3-benzoxadiazol-5-yl]amino]phenyl]acetamide Traditional Name: N-[4-[[7-(azepan-1-yl)-4-nitro-benzofurazan-5-yl]amino]phenyl]acetamide Formula: C20H22N6O4 MolecularWeight: 410.42648

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)NC2=C(C3=NON=C3C(=C2)N4CCCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H22N6O4/c1-13(27)21-14-6-8-15(9-7-14)22-16-12-17(25-10-4-2-3-5-11-25)18-19(24-30-23-18)20(16)26(28)29/h6-9,12,22H,2-5,10-11H2,1H3,(H,21,27)