O4-tert-butyl O1-ethyl 3-(phenylcarbamoylamino)pyrazole-1,4-dicarboxylate

Systemtic Name: O4-tert-butyl O1-ethyl 3-(phenylcarbamoylamino)pyrazole-1,4-dicarboxylate Openeye Name: O4-tert-butyl O1-ethyl 3-(phenylcarbamoylamino)pyrazole-1,4-dicarboxylate CAS Name: 3-[[anilino(oxo)methyl]amino]pyrazole-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl 3-(phenylcarbamoylamino)pyrazole-1,4-dicarboxylate Traditional Name: 3-(phenylcarbamoylamino)pyrazole-1,4-dicarboxylic acid O4-tert-butyl ester O1-ethyl ester Formula: C18H22N4O5 MolecularWeight: 374.39108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C(=N1)NC(=O)NC2=CC=CC=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)N1C=C(C(=N1)NC(=O)NC2=CC=CC=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C18H22N4O5/c1-5-26-17(25)22-11-13(15(23)27-18(2,3)4)14(21-22)20-16(24)19-12-9-7-6-8-10-12/h6-11H,5H2,1-4H3,(H2,19,20,21,24)