ethyl 2-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-4-nitro-butanoate

Systemtic Name: ethyl 2-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-4-nitro-butanoate Openeye Name: ethyl 2-(3,4-dimethoxyphenyl)-3-(3-methyl-2-thienyl)-4-nitro-butanoate CAS Name: 2-(3,4-dimethoxyphenyl)-3-(3-methyl-2-thiophenyl)-4-nitrobutanoic acid ethyl ester IUPAC Name: ethyl 2-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-4-nitrobutanoate Traditional Name: 2-(3,4-dimethoxyphenyl)-3-(3-methyl-2-thienyl)-4-nitro-butyric acid ethyl ester Formula: C19H23NO6S MolecularWeight: 393.45402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC(=C(C=C1)OC)OC)C(C[N+](=O)[O-])C2=C(C=CS2)C

Isomeric SMILES

CCOC(=O)C(C1=CC(=C(C=C1)OC)OC)C(C[N+](=O)[O-])C2=C(C=CS2)C

InChI

InChI=1S/C19H23NO6S/c1-5-26-19(21)17(13-6-7-15(24-3)16(10-13)25-4)14(11-20(22)23)18-12(2)8-9-27-18/h6-10,14,17H,5,11H2,1-4H3