2-[3-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[3-[(4-bromanylpyrazol-1-yl)methyl]phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[3-[(4-bromo-1-pyrazolyl)methyl]anilino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[3-[(4-bromopyrazol-1-yl)methyl]anilino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C17H16BrN5O3 MolecularWeight: 418.24464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)CN3C=C(C=N3)Br

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCN2C(=CC=N2)C(=O)O)CN3C=C(C=N3)Br

InChI

InChI=1S/C17H16BrN5O3/c18-13-9-20-22(11-13)10-12-2-1-3-14(8-12)21-16(24)5-7-23-15(17(25)26)4-6-19-23/h1-4,6,8-9,11H,5,7,10H2,(H,21,24)(H,25,26)