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

Systemtic Name: methyl 2-[[(E)-3-(5-chloranyl-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)prop-2-enoyl]amino]-3-hydroxy-propanoate CAS Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-4-pyrazolyl)-1-oxoprop-2-enyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)prop-2-enoyl]amino]-3-hydroxypropanoate Traditional Name: 2-[[(E)-3-(5-chloro-1,3-dimethyl-pyrazol-4-yl)acryloyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16ClN3O4/c1-7-8(11(13)16(2)15-7)4-5-10(18)14-9(6-17)12(19)20-3/h4-5,9,17H,6H2,1-3H3,(H,14,18)/b5-4+