ethyl 4-[(7-chloranyl-1-ethyl-8-methyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(7-chloranyl-1-ethyl-8-methyl-4-oxidanylidene-quinolin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(7-chloro-1-ethyl-8-methyl-4-oxo-quinoline-3-carbonyl)amino]benzoate CAS Name: 4-[[(7-chloro-1-ethyl-8-methyl-4-oxo-3-quinolinyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(7-chloro-1-ethyl-8-methyl-4-oxoquinoline-3-carbonyl)amino]benzoate Traditional Name: 4-[(7-chloro-1-ethyl-4-keto-8-methyl-quinoline-3-carbonyl)amino]benzoic acid ethyl ester Formula: C22H21ClN2O4 MolecularWeight: 412.86614

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=C1C(=C(C=C2)Cl)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

Isomeric SMILES

CCN1C=C(C(=O)C2=C1C(=C(C=C2)Cl)C)C(=O)NC3=CC=C(C=C3)C(=O)OCC

InChI

InChI=1S/C22H21ClN2O4/c1-4-25-12-17(20(26)16-10-11-18(23)13(3)19(16)25)21(27)24-15-8-6-14(7-9-15)22(28)29-5-2/h6-12H,4-5H2,1-3H3,(H,24,27)