4-[4-(3-azanyl-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid

Systemtic Name: 4-[4-(3-azanyl-3-oxidanylidene-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid Openeye Name: 4-[4-(3-amino-3-oxo-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid CAS Name: 4-[4-(3-amino-3-oxopropyl)-3,5-dimethyl-1-pyrazolyl]benzoic acid IUPAC Name: 4-[4-(3-amino-3-oxopropyl)-3,5-dimethylpyrazol-1-yl]benzoic acid Traditional Name: 4-[4-(3-amino-3-keto-propyl)-3,5-dimethyl-pyrazol-1-yl]benzoic acid Formula: C15H17N3O3 MolecularWeight: 287.31378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)CCC(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)O)C)CCC(=O)N

InChI

InChI=1S/C15H17N3O3/c1-9-13(7-8-14(16)19)10(2)18(17-9)12-5-3-11(4-6-12)15(20)21/h3-6H,7-8H2,1-2H3,(H2,16,19)(H,20,21)