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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=C(C=N2)Br)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=C(C=N2)Br)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

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