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

Systemtic Name: 2-[(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)carbamoyl]benzoic acid Openeye Name: 2-[(3-morpholino-1H-1,2,4-triazol-5-yl)carbamoyl]benzoic acid CAS Name: 2-[[[3-(4-morpholinyl)-1H-1,2,4-triazol-5-yl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(3-morpholin-4-yl-1H-1,2,4-triazol-5-yl)carbamoyl]benzoic acid Traditional Name: 2-[(3-morpholino-1H-1,2,4-triazol-5-yl)carbamoyl]benzoic acid Formula: C14H15N5O4 MolecularWeight: 317.3

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NNC(=N2)NC(=O)C3=CC=CC=C3C(=O)O

Isomeric SMILES

C1COCCN1C2=NNC(=N2)NC(=O)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C14H15N5O4/c20-11(9-3-1-2-4-10(9)12(21)22)15-13-16-14(18-17-13)19-5-7-23-8-6-19/h1-4H,5-8H2,(H,21,22)(H2,15,16,17,18,20)