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

Systemtic Name: methyl 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2,5-dimethyl-3-thienyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2,5-dimethyl-3-thiophenyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2,5-dimethyl-3-thienyl)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C16H15NO6S MolecularWeight: 349.3584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO6S/c1-9-6-12(10(2)24-9)14(18)8-23-15-5-4-11(16(19)22-3)7-13(15)17(20)21/h4-7H,8H2,1-3H3