[(2S)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [(2S)-1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [(1S)-2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [(1S)-2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C22H16ClN3O3 MolecularWeight: 405.83374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=C(C=C1)C#N)Cl)OC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H16ClN3O3/c1-14(22(28)26-18-9-7-17(13-24)19(23)12-18)29-20(27)10-8-16-5-2-4-15-6-3-11-25-21(15)16/h2-12,14H,1H3,(H,26,28)/b10-8+/t14-/m0/s1