[2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)-2-propenoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] (E)-3-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)acrylic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H20ClN3O3 MolecularWeight: 361.8227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=CC(=O)OCC(=O)NC(C)C)Cl)C2=CC=CC=C2

Isomeric SMILES

CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC(C)C)Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H20ClN3O3/c1-12(2)20-16(23)11-25-17(24)10-9-15-13(3)21-22(18(15)19)14-7-5-4-6-8-14/h4-10,12H,11H2,1-3H3,(H,20,23)/b10-9+