1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-(benzylamino)-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-oxo-2-[(phenylmethyl)amino]ethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-(benzylamino)-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-(benzylamino)-2-keto-ethyl]pyrazole-4-carboxylic acid Formula: C13H13N3O3 MolecularWeight: 259.26062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H13N3O3/c17-12(14-6-10-4-2-1-3-5-10)9-16-8-11(7-15-16)13(18)19/h1-5,7-8H,6,9H2,(H,14,17)(H,18,19)