methyl 3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophen-3-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophen-3-yl)carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophene-3-carbonyl)amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[(5-nitro-3-thiophenyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophene-3-carbonyl)amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[(5-nitrothiophene-3-carbonyl)amino]propionic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CSC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CSC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H18N2O7S/c1-24-13-5-4-10(6-14(13)25-2)12(8-16(20)26-3)18-17(21)11-7-15(19(22)23)27-9-11/h4-7,9,12H,8H2,1-3H3,(H,18,21)