ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)-5-(hydroxymethyl)-3-phenyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(2-azanyl-2-oxidanylidene-ethyl)-5-(hydroxymethyl)-3-phenyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-(2-amino-2-oxo-ethyl)-5-(hydroxymethyl)-3-phenyl-pyrazole-4-carboxylate CAS Name: 1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-3-phenyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(2-amino-2-oxoethyl)-5-(hydroxymethyl)-3-phenylpyrazole-4-carboxylate Traditional Name: 1-(2-amino-2-keto-ethyl)-5-methylol-3-phenyl-pyrazole-4-carboxylic acid ethyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C2=CC=CC=C2)CC(=O)N)CO

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C2=CC=CC=C2)CC(=O)N)CO

InChI

InChI=1S/C15H17N3O4/c1-2-22-15(21)13-11(9-19)18(8-12(16)20)17-14(13)10-6-4-3-5-7-10/h3-7,19H,2,8-9H2,1H3,(H2,16,20)