2-(3-azanyl-2,5,6-trimethoxy-phenyl)ethyl 5-chloranyl-2,4-bis(oxidanyl)benzoate

Systemtic Name: 2-(3-azanyl-2,5,6-trimethoxy-phenyl)ethyl 5-chloranyl-2,4-bis(oxidanyl)benzoate Openeye Name: 2-(3-amino-2,5,6-trimethoxy-phenyl)ethyl 5-chloro-2,4-dihydroxy-benzoate CAS Name: 5-chloro-2,4-dihydroxybenzoic acid 2-(3-amino-2,5,6-trimethoxyphenyl)ethyl ester IUPAC Name: 2-(3-amino-2,5,6-trimethoxyphenyl)ethyl 5-chloro-2,4-dihydroxybenzoate Traditional Name: 5-chloro-2,4-dihydroxy-benzoic acid 2-(3-amino-2,5,6-trimethoxy-phenyl)ethyl ester Formula: C18H20ClNO7 MolecularWeight: 397.8069

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)N)OC)CCOC(=O)C2=CC(=C(C=C2O)O)Cl)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)N)OC)CCOC(=O)C2=CC(=C(C=C2O)O)Cl)OC

InChI

InChI=1S/C18H20ClNO7/c1-24-15-7-12(20)16(25-2)9(17(15)26-3)4-5-27-18(23)10-6-11(19)14(22)8-13(10)21/h6-8,21-22H,4-5,20H2,1-3H3