[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 7-methoxy-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 7-methoxy-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 7-methoxy-2-methyl-quinoline-3-carboxylate CAS Name: 7-methoxy-2-methyl-3-quinolinecarboxylic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 7-methoxy-2-methylquinoline-3-carboxylate Traditional Name: 7-methoxy-2-methyl-quinoline-3-carboxylic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C21H16ClN3O4 MolecularWeight: 409.82244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)OC)C(=O)OCC(=O)NC3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C21H16ClN3O4/c1-12-17(7-13-4-6-16(28-2)9-19(13)24-12)21(27)29-11-20(26)25-15-5-3-14(10-23)18(22)8-15/h3-9H,11H2,1-2H3,(H,25,26)