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

Systemtic Name: methyl 4-[2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(5-ethyl-2-thienyl)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(5-ethyl-2-thiophenyl)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(5-ethylthiophen-2-yl)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(5-ethyl-2-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:

CCC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(S1)C(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

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