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

Systemtic Name: methyl 2-[2-methoxy-4-[[(5-nitro-1-benzothiophen-2-yl)carbonylhydrazinylidene]methyl]phenoxy]ethanoate Openeye Name: methyl 2-[2-methoxy-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetate CAS Name: 2-[2-methoxy-4-[[[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]hydrazinylidene]methyl]phenoxy]acetic acid methyl ester IUPAC Name: methyl 2-[2-methoxy-4-[[(5-nitro-1-benzothiophene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate Traditional Name: 2-[2-methoxy-4-[[(5-nitrobenzothiophene-2-carbonyl)hydrazono]methyl]phenoxy]acetic acid methyl ester Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7S/c1-28-16-7-12(3-5-15(16)30-11-19(24)29-2)10-21-22-20(25)18-9-13-8-14(23(26)27)4-6-17(13)31-18/h3-10H,11H2,1-2H3,(H,22,25)