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

Systemtic Name: 2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)carbamoyl]-6-nitro-benzoic acid Formula: C17H16N2O7S MolecularWeight: 392.38314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7S/c1-4-26-17(23)12-8(2)9(3)27-15(12)18-14(20)10-6-5-7-11(19(24)25)13(10)16(21)22/h5-7H,4H2,1-3H3,(H,18,20)(H,21,22)