1-methyl-5-(phenylmethoxycarbonylamino)pyrazole-3-carboxylic acid

Systemtic Name: 1-methyl-5-(phenylmethoxycarbonylamino)pyrazole-3-carboxylic acid Openeye Name: 5-(benzyloxycarbonylamino)-1-methyl-pyrazole-3-carboxylic acid CAS Name: 1-methyl-5-(phenylmethoxycarbonylamino)-3-pyrazolecarboxylic acid IUPAC Name: 1-methyl-5-(phenylmethoxycarbonylamino)pyrazole-3-carboxylic acid Traditional Name: 5-(benzyloxycarbonylamino)-1-methyl-pyrazole-3-carboxylic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=N1)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN1C(=CC(=N1)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H13N3O4/c1-16-11(7-10(15-16)12(17)18)14-13(19)20-8-9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,14,19)(H,17,18)