2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]-6-nitro-benzoic acid

Systemtic Name: 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[(5-ethoxycarbonyl-4-methyl-thiazol-2-yl)carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[(5-ethoxycarbonyl-4-methyl-2-thiazolyl)amino]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[(5-ethoxycarbonyl-4-methyl-1,3-thiazol-2-yl)carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[(5-carbethoxy-4-methyl-thiazol-2-yl)carbamoyl]-6-nitro-benzoic acid Formula: C15H13N3O7S MolecularWeight: 379.34462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O)C

InChI

InChI=1S/C15H13N3O7S/c1-3-25-14(22)11-7(2)16-15(26-11)17-12(19)8-5-4-6-9(18(23)24)10(8)13(20)21/h4-6H,3H2,1-2H3,(H,20,21)(H,16,17,19)