2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]-6-nitro-benzoate

Systemtic Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]carbamoyl]-6-nitro-benzoate Openeye Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]carbamoyl]-6-nitro-benzoate CAS Name: 2-[[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-oxomethyl]-6-nitrobenzoate IUPAC Name: 2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]carbamoyl]-6-nitrobenzoate Traditional Name: 2-[(3,5-dicarbethoxy-4-methyl-2-thienyl)carbamoyl]-6-nitro-benzoate Formula: C19H17N2O9S- MolecularWeight: 449.41128

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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)10-7-6-8-11(21(27)28)13(10)17(23)24/h6-8H,4-5H2,1-3H3,(H,20,22)(H,23,24)/p-1