ethyl 4-[[2-[3,4-bis(oxidanyl)phenyl]ethylcarbamoyl-methyl-amino]diazenyl]benzoate

Systemtic Name: ethyl 4-[[2-[3,4-bis(oxidanyl)phenyl]ethylcarbamoyl-methyl-amino]diazenyl]benzoate Openeye Name: ethyl 4-[2-(3,4-dihydroxyphenyl)ethylcarbamoyl-methyl-amino]azobenzoate CAS Name: 4-[[[2-(3,4-dihydroxyphenyl)ethylamino]-oxomethyl]-methylamino]azobenzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dihydroxyphenyl)ethylcarbamoyl-methylamino]diazenyl]benzoate Traditional Name: 4-[2-(3,4-dihydroxyphenyl)ethylcarbamoyl-methyl-amino]azobenzoic acid ethyl ester Formula: C19H22N4O5 MolecularWeight: 386.40178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=NN(C)C(=O)NCCC2=CC(=C(C=C2)O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=NN(C)C(=O)NCCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C19H22N4O5/c1-3-28-18(26)14-5-7-15(8-6-14)21-22-23(2)19(27)20-11-10-13-4-9-16(24)17(25)12-13/h4-9,12,24-25H,3,10-11H2,1-2H3,(H,20,27)