[1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate

Systemtic Name: [1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-methylquinoline-4-carboxylate Openeye Name: [2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [1-(2-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [2-(2-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC(C)C(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C21H17N3O3/c1-13-11-17(16-8-4-6-10-19(16)23-13)21(26)27-14(2)20(25)24-18-9-5-3-7-15(18)12-22/h3-11,14H,1-2H3,(H,24,25)