[2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(2-methoxyphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(4-bromanyl-3-chloranyl-phenyl)amino]-2-oxidanylidene-ethyl] 5-[(2-methoxyphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: [2-(4-bromo-3-chloro-anilino)-2-oxo-ethyl] 5-(2-methoxyanilino)-5-oxo-pentanoate CAS Name: 5-(2-methoxyanilino)-5-oxopentanoic acid [2-(4-bromo-3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-3-chloroanilino)-2-oxoethyl] 5-(2-methoxyanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(o-anisidino)valeric acid [2-(4-bromo-3-chloro-anilino)-2-keto-ethyl] ester Formula: C20H20BrClN2O5 MolecularWeight: 483.7402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)NC2=CC(=C(C=C2)Br)Cl

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CCCC(=O)OCC(=O)NC2=CC(=C(C=C2)Br)Cl

InChI

InChI=1S/C20H20BrClN2O5/c1-28-17-6-3-2-5-16(17)24-18(25)7-4-8-20(27)29-12-19(26)23-13-9-10-14(21)15(22)11-13/h2-3,5-6,9-11H,4,7-8,12H2,1H3,(H,23,26)(H,24,25)