3-(carboxycarbonylamino)-1-(phenylmethyl)pyrazole-4-carboxylic acid

Systemtic Name: 3-(carboxycarbonylamino)-1-(phenylmethyl)pyrazole-4-carboxylic acid Openeye Name: 1-benzyl-3-(oxaloamino)pyrazole-4-carboxylic acid CAS Name: 3-(oxaloamino)-1-(phenylmethyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-benzyl-3-(oxaloamino)pyrazole-4-carboxylic acid Traditional Name: 1-benzyl-3-(oxaloamino)pyrazole-4-carboxylic acid Formula: C13H11N3O5 MolecularWeight: 289.24354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11N3O5/c17-11(13(20)21)14-10-9(12(18)19)7-16(15-10)6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,18,19)(H,20,21)(H,14,15,17)