methyl 4-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(5-methylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(5-methyl-2-thienyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(5-methyl-2-thiophenyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-methylthiophen-2-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-keto-2-(5-methyl-2-thienyl)ethoxy]-3-nitro-benzoic acid methyl ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H13NO6S/c1-9-3-6-14(23-9)12(17)8-22-13-5-4-10(15(18)21-2)7-11(13)16(19)20/h3-7H,8H2,1-2H3