2-[3-[(5-bromanylpyridin-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(5-bromanylpyridin-2-yl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(5-bromo-2-pyridyl)amino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(5-bromo-2-pyridinyl)amino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(5-bromopyridin-2-yl)amino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(5-bromo-2-pyridyl)amino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C12H11BrN4O3 MolecularWeight: 339.14474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1Br)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

C1=CC(=NC=C1Br)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C12H11BrN4O3/c13-8-1-2-10(14-7-8)16-11(18)4-6-17-9(12(19)20)3-5-15-17/h1-3,5,7H,4,6H2,(H,19,20)(H,14,16,18)