1-[2-oxidanylidene-2-(phenethylamino)ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-(phenethylamino)ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-oxo-2-(phenethylamino)ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-oxo-2-(phenethylamino)ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-oxo-2-(phenethylamino)ethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-2-(phenethylamino)ethyl]pyrazole-4-carboxylic acid Formula: C14H15N3O3 MolecularWeight: 273.2872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C14H15N3O3/c18-13(10-17-9-12(8-16-17)14(19)20)15-7-6-11-4-2-1-3-5-11/h1-5,8-9H,6-7,10H2,(H,15,18)(H,19,20)