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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] (E)-3-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)prop-2-enoate Openeye Name: [2-(dimethylamino)-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-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] (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-(dimethylamino)-2-keto-ethyl] ester Formula: C17H18ClN3O3 MolecularWeight: 347.79612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18ClN3O3/c1-12-14(9-10-16(23)24-11-15(22)20(2)3)17(18)21(19-12)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3/b10-9+