methyl 2-[2-chloranyl-6-ethoxy-4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate

Systemtic Name: methyl 2-[2-chloranyl-6-ethoxy-4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-chloro-6-ethoxy-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetate CAS Name: 2-[2-chloro-6-ethoxy-4-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-chloro-6-ethoxy-4-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-chloro-6-ethoxy-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid methyl ester Formula: C21H18ClN3O7S MolecularWeight: 491.90152

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl)OCC(=O)OC

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C=NNC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])Cl)OCC(=O)OC

InChI

InChI=1S/C21H18ClN3O7S/c1-3-31-16-7-12(6-15(22)20(16)32-11-19(26)30-2)10-23-24-21(27)18-9-13-8-14(25(28)29)4-5-17(13)33-18/h4-10H,3,11H2,1-2H3,(H,24,27)