(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate

Systemtic Name: (6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 4-azanyl-5-chloranyl-2-methoxy-benzoate Openeye Name: (6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methyl 4-amino-5-chloro-2-methoxy-benzoate CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid (6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-ethyl-7-hydroxy-2-oxochromen-4-yl)methyl 4-amino-5-chloro-2-methoxybenzoate Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid (6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methyl ester Formula: C20H18ClNO6 MolecularWeight: 403.81302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3OC)N)Cl)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)C3=CC(=C(C=C3OC)N)Cl)O

InChI

InChI=1S/C20H18ClNO6/c1-3-10-4-12-11(5-19(24)28-18(12)8-16(10)23)9-27-20(25)13-6-14(21)15(22)7-17(13)26-2/h4-8,23H,3,9,22H2,1-2H3