6-[[7-(azepan-1-yl)-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[7-(azepan-1-yl)-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[7-(azepan-1-yl)-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,4-dien-1-one CAS Name: 6-[[7-(1-azepanyl)-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[7-(azepan-1-yl)-4-nitro-1,3-dihydro-2,1,3-benzoxadiazol-5-yl]imino]cyclohexa-2,4-dien-1-one Traditional Name: 6-[[7-(azepan-1-yl)-4-nitro-1,3-dihydrobenzofurazan-5-yl]imino]cyclohexa-2,4-dien-1-one Formula: C18H19N5O4 MolecularWeight: 369.37456

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C3C(=C(C(=C2)N=C4C=CC=CC4=O)[N+](=O)[O-])NON3

Isomeric SMILES

C1CCCN(CC1)C2=C3C(=C(C(=C2)N=C4C=CC=CC4=O)[N+](=O)[O-])NON3

InChI

InChI=1S/C18H19N5O4/c24-15-8-4-3-7-12(15)19-13-11-14(22-9-5-1-2-6-10-22)16-17(21-27-20-16)18(13)23(25)26/h3-4,7-8,11,20-21H,1-2,5-6,9-10H2