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

Systemtic Name: methyl 2-[2-ethoxy-4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-ethoxy-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetate CAS Name: 2-[2-ethoxy-4-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-ethoxy-4-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-ethoxy-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid methyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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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-])OCC(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7S/c1-3-30-17-8-13(4-6-16(17)31-12-20(25)29-2)11-22-23-21(26)19-10-14-9-15(24(27)28)5-7-18(14)32-19/h4-11H,3,12H2,1-2H3,(H,23,26)