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

Systemtic Name: methyl 2-[4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H15N3O6S MolecularWeight: 413.4039

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O6S/c1-27-18(23)11-28-15-5-2-12(3-6-15)10-20-21-19(24)17-9-13-8-14(22(25)26)4-7-16(13)29-17/h2-10H,11H2,1H3,(H,21,24)