[1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate

Systemtic Name: [1-[(4-chloranyl-2-methoxy-5-methyl-phenyl)amino]-1-oxidanylidene-butan-2-yl] quinoxaline-2-carboxylate Openeye Name: 1-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]propyl quinoxaline-2-carboxylate CAS Name: 2-quinoxalinecarboxylic acid [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxobutan-2-yl] ester IUPAC Name: [1-(4-chloro-2-methoxy-5-methylanilino)-1-oxobutan-2-yl] quinoxaline-2-carboxylate Traditional Name: quinoxaline-2-carboxylic acid 1-[(4-chloro-2-methoxy-5-methyl-phenyl)carbamoyl]propyl ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=C(C=C(C(=C1)C)Cl)OC)OC(=O)C2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCC(C(=O)NC1=C(C=C(C(=C1)C)Cl)OC)OC(=O)C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C21H20ClN3O4/c1-4-18(20(26)25-16-9-12(2)13(22)10-19(16)28-3)29-21(27)17-11-23-14-7-5-6-8-15(14)24-17/h5-11,18H,4H2,1-3H3,(H,25,26)