(2R)-2-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]propanoic acid

Systemtic Name: (2R)-2-[[1-(4-chlorophenyl)-3-methyl-5-oxidanylidene-pyrazol-4-ylidene]methylamino]propanoic acid Openeye Name: (2R)-2-[[1-(4-chlorophenyl)-3-methyl-5-oxo-pyrazol-4-ylidene]methylamino]propanoic acid CAS Name: (2R)-2-[[1-(4-chlorophenyl)-3-methyl-5-oxo-4-pyrazolylidene]methylamino]propanoic acid IUPAC Name: (2R)-2-[[1-(4-chlorophenyl)-3-methyl-5-oxopyrazol-4-ylidene]methylamino]propanoic acid Traditional Name: (2R)-2-[[1-(4-chlorophenyl)-5-keto-3-methyl-2-pyrazolin-4-ylidene]methylamino]propionic acid Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC(C)C(=O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC1=NN(C(=O)C1=CN[C@H](C)C(=O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClN3O3/c1-8-12(7-16-9(2)14(20)21)13(19)18(17-8)11-5-3-10(15)4-6-11/h3-7,9,16H,1-2H3,(H,20,21)/t9-/m1/s1