[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 5-methyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 5-methyl-1-phenyl-4-pyrazolecarboxylic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 5-methyl-1-phenylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-phenyl-pyrazole-4-carboxylic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=C(N(N=C1)C2=CC=CC=C2)C

InChI

InChI=1S/C16H17N3O5/c1-3-23-16(22)18-14(20)10-24-15(21)13-9-17-19(11(13)2)12-7-5-4-6-8-12/h4-9H,3,10H2,1-2H3,(H,18,20,22)