2-[[(6E)-6-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-5-oxidanylidene-7,8-dihydronaphthalen-2-yl]oxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[[(6E)-6-[(1-methyl-5-nitro-imidazol-2-yl)methylidene]-5-oxidanylidene-7,8-dihydronaphthalen-2-yl]oxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(2E)-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]-1-oxo-tetralin-6-yl]oxyethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[[(6E)-6-[(1-methyl-5-nitro-2-imidazolyl)methylidene]-5-oxo-7,8-dihydronaphthalen-2-yl]oxy]ethyl ester IUPAC Name: 2-[[(6E)-6-[(1-methyl-5-nitroimidazol-2-yl)methylidene]-5-oxo-7,8-dihydronaphthalen-2-yl]oxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(2E)-1-keto-2-[(1-methyl-5-nitro-imidazol-2-yl)methylene]tetralin-6-yl]oxyethyl ester Formula: C24H23N3O7S MolecularWeight: 497.52032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC3=C(C=C2)C(=O)C(=CC4=NC=C(N4C)[N+](=O)[O-])CC3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOC2=CC3=C(C=C2)C(=O)/C(=C/C4=NC=C(N4C)[N+](=O)[O-])/CC3

InChI

InChI=1S/C24H23N3O7S/c1-16-3-8-20(9-4-16)35(31,32)34-12-11-33-19-7-10-21-17(13-19)5-6-18(24(21)28)14-22-25-15-23(26(22)2)27(29)30/h3-4,7-10,13-15H,5-6,11-12H2,1-2H3/b18-14+