[(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [(2S)-1-[(3-chloranyl-4-methoxy-phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-pyrazol-1-ylbenzoate Openeye Name: [(1S)-2-(3-chloro-4-methoxy-anilino)-1-methyl-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [(1S)-2-(3-chloro-4-methoxy-anilino)-2-keto-1-methyl-ethyl] ester Formula: C20H18ClN3O4 MolecularWeight: 399.82762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)OC)Cl)OC(=O)C2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C20H18ClN3O4/c1-13(19(25)23-15-6-9-18(27-2)17(21)12-15)28-20(26)14-4-7-16(8-5-14)24-11-3-10-22-24/h3-13H,1-2H3,(H,23,25)/t13-/m0/s1