1-[5-azanylidene-4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]cyclohexa-1,3-dien-1-yl]azepan-2-one

Systemtic Name: 1-[5-azanylidene-4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]cyclohexa-1,3-dien-1-yl]azepan-2-one Openeye Name: 1-[5-imino-4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]cyclohexa-1,3-dien-1-yl]azepan-2-one CAS Name: 1-[5-imino-4-[(1-methyl-5-nitro-2-imidazolyl)methoxy]-1-cyclohexa-1,3-dienyl]-2-azepanone IUPAC Name: 1-[5-imino-4-[(1-methyl-5-nitroimidazol-2-yl)methoxy]cyclohexa-1,3-dien-1-yl]azepan-2-one Traditional Name: 1-[5-imino-4-[(1-methyl-5-nitro-imidazol-2-yl)methoxy]cyclohexa-1,3-dien-1-yl]azepan-2-one Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1COC2=CC=C(CC2=N)N3CCCCCC3=O)[N+](=O)[O-]

Isomeric SMILES

CN1C(=CN=C1COC2=CC=C(CC2=N)N3CCCCCC3=O)[N+](=O)[O-]

InChI

InChI=1S/C17H21N5O4/c1-20-15(19-10-16(20)22(24)25)11-26-14-7-6-12(9-13(14)18)21-8-4-2-3-5-17(21)23/h6-7,10,18H,2-5,8-9,11H2,1H3