[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] (E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-2-propenoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] (E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acrylic acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C15H22ClN3O3 MolecularWeight: 327.80648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OC(C)C(=O)NC(C)(C)C)Cl)C

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OC(C)C(=O)NC(C)(C)C)Cl)C

InChI

InChI=1S/C15H22ClN3O3/c1-9-11(13(16)19(6)18-9)7-8-12(20)22-10(2)14(21)17-15(3,4)5/h7-8,10H,1-6H3,(H,17,21)/b8-7+