dimethyl 5-[(2-chloranyl-4-fluoranyl-phenyl)methylcarbamoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[(2-chloranyl-4-fluoranyl-phenyl)methylcarbamoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[(2-chloro-4-fluoro-phenyl)methylcarbamoylamino]benzene-1,3-dicarboxylate CAS Name: 5-[[[(2-chloro-4-fluorophenyl)methylamino]-oxomethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-chloro-4-fluorophenyl)methylcarbamoylamino]benzene-1,3-dicarboxylate Traditional Name: 5-[(2-chloro-4-fluoro-benzyl)carbamoylamino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16ClFN2O5 MolecularWeight: 394.781443

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)NCC2=C(C=C(C=C2)F)Cl)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)NCC2=C(C=C(C=C2)F)Cl)C(=O)OC

InChI

InChI=1S/C18H16ClFN2O5/c1-26-16(23)11-5-12(17(24)27-2)7-14(6-11)22-18(25)21-9-10-3-4-13(20)8-15(10)19/h3-8H,9H2,1-2H3,(H2,21,22,25)