methyl (4R,5R)-4-(2-methoxy-2-oxidanylidene-ethyl)-5-(phenylmethoxycarbonylamino)-3,4-dihydropyrazole-5-carboxylate

Systemtic Name: methyl (4R,5R)-4-(2-methoxy-2-oxidanylidene-ethyl)-5-(phenylmethoxycarbonylamino)-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (4R,5R)-5-(benzyloxycarbonylamino)-4-(2-methoxy-2-oxo-ethyl)-3,4-dihydropyrazole-5-carboxylate CAS Name: (4R,5R)-4-(2-methoxy-2-oxoethyl)-5-(phenylmethoxycarbonylamino)-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4R,5R)-4-(2-methoxy-2-oxoethyl)-5-(phenylmethoxycarbonylamino)-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3R,4R)-3-(benzyloxycarbonylamino)-4-(2-keto-2-methoxy-ethyl)-1-pyrazoline-3-carboxylic acid methyl ester Formula: C16H19N3O6 MolecularWeight: 349.33856

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN=NC1(C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@@H]1CN=N[C@]1(C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O6/c1-23-13(20)8-12-9-17-19-16(12,14(21)24-2)18-15(22)25-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,18,22)/t12-,16-/m1/s1