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

Systemtic Name: 2-[[(2,4-dimethyl-1,3-thiazol-5-yl)carbonylamino]carbamoyl]-6-nitro-benzoic acid Openeye Name: 2-[[(2,4-dimethylthiazole-5-carbonyl)amino]carbamoyl]-6-nitro-benzoic acid CAS Name: 2-[[[(2,4-dimethyl-5-thiazolyl)-oxomethyl]hydrazo]-oxomethyl]-6-nitrobenzoic acid IUPAC Name: 2-[[(2,4-dimethyl-1,3-thiazole-5-carbonyl)amino]carbamoyl]-6-nitrobenzoic acid Traditional Name: 2-[[(2,4-dimethylthiazole-5-carbonyl)amino]carbamoyl]-6-nitro-benzoic acid Formula: C14H12N4O6S MolecularWeight: 364.33328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C)C(=O)NNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(SC(=N1)C)C(=O)NNC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H12N4O6S/c1-6-11(25-7(2)15-6)13(20)17-16-12(19)8-4-3-5-9(18(23)24)10(8)14(21)22/h3-5H,1-2H3,(H,16,19)(H,17,20)(H,21,22)