methyl 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-chloranyl-benzoate

Systemtic Name: methyl 2-[[3,4-bis(oxidanyl)phenyl]methylamino]-4-chloranyl-benzoate Openeye Name: methyl 4-chloro-2-[(3,4-dihydroxyphenyl)methylamino]benzoate CAS Name: 4-chloro-2-[(3,4-dihydroxyphenyl)methylamino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[(3,4-dihydroxyphenyl)methylamino]benzoate Traditional Name: 4-chloro-2-(protocatechuylamino)benzoic acid methyl ester Formula: C15H14ClNO4 MolecularWeight: 307.72896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NCC2=CC(=C(C=C2)O)O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C15H14ClNO4/c1-21-15(20)11-4-3-10(16)7-12(11)17-8-9-2-5-13(18)14(19)6-9/h2-7,17-19H,8H2,1H3