2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(3,5-dicarbethoxy-4-methyl-2-thienyl)carbamoyl]-3-nitro-benzoic acid Formula: C19H18N2O9S MolecularWeight: 450.41922

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C=CC=C2[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C19H18N2O9S/c1-4-29-18(25)12-9(3)14(19(26)30-5-2)31-16(12)20-15(22)13-10(17(23)24)7-6-8-11(13)21(27)28/h6-8H,4-5H2,1-3H3,(H,20,22)(H,23,24)