ethyl 2-[4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: ethyl 2-[4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetate CAS Name: 2-[4-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate Traditional Name: 2-[4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid ethyl ester Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O6S/c1-2-28-19(24)12-29-16-6-3-13(4-7-16)11-21-22-20(25)18-10-14-9-15(23(26)27)5-8-17(14)30-18/h3-11H,2,12H2,1H3,(H,22,25)