2-[(3-ethyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid

Systemtic Name: 2-[(3-ethyl-5-oxidanylidene-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid CAS Name: 2-[[(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-ethyl-5-oxo-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid Traditional Name: 2-[(3-ethyl-5-keto-1H-1,2,4-triazol-4-yl)carbamoyl]benzoic acid Formula: C12H12N4O4 MolecularWeight: 276.24808

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NNC(=O)N1NC(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCC1=NNC(=O)N1NC(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C12H12N4O4/c1-2-9-13-14-12(20)16(9)15-10(17)7-5-3-4-6-8(7)11(18)19/h3-6H,2H2,1H3,(H,14,20)(H,15,17)(H,18,19)