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

Systemtic Name: methyl (4S,5R)-4-(2-methoxy-2-oxidanylidene-ethyl)-5-(2-phenylethanoylamino)-3,4-dihydropyrazole-5-carboxylate Openeye Name: methyl (4S,5R)-4-(2-methoxy-2-oxo-ethyl)-5-[(2-phenylacetyl)amino]-3,4-dihydropyrazole-5-carboxylate CAS Name: (4S,5R)-4-(2-methoxy-2-oxoethyl)-5-[(1-oxo-2-phenylethyl)amino]-3,4-dihydropyrazole-5-carboxylic acid methyl ester IUPAC Name: methyl (4S,5R)-4-(2-methoxy-2-oxoethyl)-5-[(2-phenylacetyl)amino]-3,4-dihydropyrazole-5-carboxylate Traditional Name: (3R,4S)-4-(2-keto-2-methoxy-ethyl)-3-[(2-phenylacetyl)amino]-1-pyrazoline-3-carboxylic acid methyl ester Formula: C16H19N3O5 MolecularWeight: 333.33916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1CN=NC1(C(=O)OC)NC(=O)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)C[C@H]1CN=N[C@]1(C(=O)OC)NC(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H19N3O5/c1-23-14(21)9-12-10-17-19-16(12,15(22)24-2)18-13(20)8-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3,(H,18,20)/t12-,16+/m0/s1