2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(5-ethanoyl-3-ethoxycarbonyl-4-methyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thienyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[(5-acetyl-3-ethoxycarbonyl-4-methyl-2-thiophenyl)amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(5-acetyl-3-ethoxycarbonyl-4-methylthiophen-2-yl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(5-acetyl-3-carbethoxy-4-methyl-2-thienyl)carbamoyl]-6-nitro-benzoic acid Formula: C18H16N2O8S MolecularWeight: 420.39324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O8S/c1-4-28-18(25)12-8(2)14(9(3)21)29-16(12)19-15(22)10-6-5-7-11(20(26)27)13(10)17(23)24/h5-7H,4H2,1-3H3,(H,19,22)(H,23,24)