1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-[1-(2,5-dimethoxyphenyl)ethylamino]-2-keto-1-methyl-ethyl]pyrazole-4-carboxylic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C(C)N2C=C(C=N2)C(=O)O

Isomeric SMILES

CC(C1=C(C=CC(=C1)OC)OC)NC(=O)C(C)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C17H21N3O5/c1-10(14-7-13(24-3)5-6-15(14)25-4)19-16(21)11(2)20-9-12(8-18-20)17(22)23/h5-11H,1-4H3,(H,19,21)(H,22,23)