[1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate

Systemtic Name: [1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Openeye Name: [2-(3-chloroanilino)-1-methyl-2-oxo-ethyl] (E)-3-(2-quinolyl)prop-2-enoate CAS Name: (E)-3-(2-quinolinyl)-2-propenoic acid [1-(3-chloroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloroanilino)-1-oxopropan-2-yl] (E)-3-quinolin-2-ylprop-2-enoate Traditional Name: (E)-3-(2-quinolyl)acrylic acid [2-(3-chloroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17ClN2O3 MolecularWeight: 380.82428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)C=CC2=NC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)Cl)OC(=O)/C=C/C2=NC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H17ClN2O3/c1-14(21(26)24-18-7-4-6-16(22)13-18)27-20(25)12-11-17-10-9-15-5-2-3-8-19(15)23-17/h2-14H,1H3,(H,24,26)/b12-11+