(phenylmethyl) (3E)-3-[azanyl(phenylmethoxycarbonylamino)methylidene]pyrazole-4-carboxylate

Systemtic Name: (phenylmethyl) (3E)-3-[azanyl(phenylmethoxycarbonylamino)methylidene]pyrazole-4-carboxylate Openeye Name: benzyl (3E)-3-[amino(benzyloxycarbonylamino)methylene]pyrazole-4-carboxylate CAS Name: (3E)-3-[amino(phenylmethoxycarbonylamino)methylidene]-4-pyrazolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3E)-3-[amino(phenylmethoxycarbonylamino)methylidene]pyrazole-4-carboxylate Traditional Name: (3E)-3-[amino(benzyloxycarbonylamino)methylene]pyrazole-4-carboxylic acid benzyl ester Formula: C20H18N4O4 MolecularWeight: 378.38132

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=CN=NC2=C(N)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C\2=CN=N/C2=C(\N)/NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C20H18N4O4/c21-18(23-20(26)28-13-15-9-5-2-6-10-15)17-16(11-22-24-17)19(25)27-12-14-7-3-1-4-8-14/h1-11H,12-13,21H2,(H,23,26)/b18-17+