3-[3-(2-methoxyphenyl)propanoylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid

Systemtic Name: 3-[3-(2-methoxyphenyl)propanoylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Openeye Name: 3-[3-(2-methoxyphenyl)propanoylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid CAS Name: 3-[[3-(2-methoxyphenyl)-1-oxopropyl]amino]-5-(3-nitrophenyl)-2-thiophenecarboxylic acid IUPAC Name: 3-[3-(2-methoxyphenyl)propanoylamino]-5-(3-nitrophenyl)thiophene-2-carboxylic acid Traditional Name: 3-[3-(2-methoxyphenyl)propanoylamino]-5-(3-nitrophenyl)-2-thenoic acid Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CCC(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=CC=CC=C1CCC(=O)NC2=C(SC(=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H18N2O6S/c1-29-17-8-3-2-5-13(17)9-10-19(24)22-16-12-18(30-20(16)21(25)26)14-6-4-7-15(11-14)23(27)28/h2-8,11-12H,9-10H2,1H3,(H,22,24)(H,25,26)