methyl 2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl 2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-butanoate Openeye Name: methyl 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-methyl-butanoate CAS Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-3-methylbutanoate Traditional Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]-3-methyl-butyric acid methyl ester Formula: C14H20ClN3O3 MolecularWeight: 313.7799

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20ClN3O3/c1-8(2)12(14(20)21-5)16-11(19)7-6-10-9(3)17-18(4)13(10)15/h6-8,12H,1-5H3,(H,16,19)/b7-6+