[1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

Systemtic Name: [1-[(3-chloranyl-4-cyano-phenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-1-methyl-2-oxo-ethyl] 5-methyl-2-phenyl-oxazole-4-carboxylate CAS Name: 5-methyl-2-phenyl-4-oxazolecarboxylic acid [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-chloro-4-cyanoanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate Traditional Name: 5-methyl-2-phenyl-oxazole-4-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)C(=O)OC(C)C(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H16ClN3O4/c1-12-18(25-20(28-12)14-6-4-3-5-7-14)21(27)29-13(2)19(26)24-16-9-8-15(11-23)17(22)10-16/h3-10,13H,1-2H3,(H,24,26)