2-[3-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[(4-bromanyl-2-ethyl-pyrazol-3-yl)methylamino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(4-bromo-2-ethyl-pyrazol-3-yl)methylamino]-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-[(4-bromo-2-ethyl-3-pyrazolyl)methylamino]-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[(4-bromo-2-ethylpyrazol-3-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-[(4-bromo-2-ethyl-pyrazol-3-yl)methylamino]-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C13H16BrN5O3 MolecularWeight: 370.20184

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)Br)CNC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CCN1C(=C(C=N1)Br)CNC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C13H16BrN5O3/c1-2-18-11(9(14)7-17-18)8-15-12(20)4-6-19-10(13(21)22)3-5-16-19/h3,5,7H,2,4,6,8H2,1H3,(H,15,20)(H,21,22)