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

Systemtic Name: 2-[2-chloranyl-6-ethoxy-4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoic acid Openeye Name: 2-[2-chloro-6-ethoxy-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid CAS Name: 2-[2-chloro-6-ethoxy-4-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid IUPAC Name: 2-[2-chloro-6-ethoxy-4-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid Traditional Name: 2-[2-chloro-6-ethoxy-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid Formula: C20H16ClN3O7S MolecularWeight: 477.87494

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClN3O7S/c1-2-30-15-6-11(5-14(21)19(15)31-10-18(25)26)9-22-23-20(27)17-8-12-7-13(24(28)29)3-4-16(12)32-17/h3-9H,2,10H2,1H3,(H,23,27)(H,25,26)