4-(3-azanyl-3-oxidanylidene-propoxy)-1-phenyl-pyrazole-3-carboxylic acid

Systemtic Name: 4-(3-azanyl-3-oxidanylidene-propoxy)-1-phenyl-pyrazole-3-carboxylic acid Openeye Name: 4-(3-amino-3-oxo-propoxy)-1-phenyl-pyrazole-3-carboxylic acid CAS Name: 4-(3-amino-3-oxopropoxy)-1-phenyl-3-pyrazolecarboxylic acid IUPAC Name: 4-(3-amino-3-oxopropoxy)-1-phenylpyrazole-3-carboxylic acid Traditional Name: 4-(3-amino-3-keto-propoxy)-1-phenyl-pyrazole-3-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)OCCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)O)OCCC(=O)N

InChI

InChI=1S/C13H13N3O4/c14-11(17)6-7-20-10-8-16(15-12(10)13(18)19)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,14,17)(H,18,19)