4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethoxy]benzoic acid

Systemtic Name: 4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxidanylidene-ethoxy]benzoic acid Openeye Name: 4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxo-ethoxy]benzoic acid CAS Name: 4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethoxy]benzoic acid IUPAC Name: 4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-oxoethoxy]benzoic acid Traditional Name: 4-[2-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-2-keto-ethoxy]benzoic acid Formula: C14H15N3O4 MolecularWeight: 289.2866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1)C)NC(=O)COC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1)C)NC(=O)COC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H15N3O4/c1-8-13(9(2)17-16-8)15-12(18)7-21-11-5-3-10(4-6-11)14(19)20/h3-6H,7H2,1-2H3,(H,15,18)(H,16,17)(H,19,20)