ethyl 4-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]benzoate

Systemtic Name: ethyl 4-[(6-ethyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methylamino]benzoate Openeye Name: ethyl 4-[(6-ethyl-7-hydroxy-2-oxo-chromen-4-yl)methylamino]benzoate CAS Name: 4-[(6-ethyl-7-hydroxy-2-oxo-1-benzopyran-4-yl)methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-ethyl-7-hydroxy-2-oxochromen-4-yl)methylamino]benzoate Traditional Name: 4-[(6-ethyl-7-hydroxy-2-keto-chromen-4-yl)methylamino]benzoic acid ethyl ester Formula: C21H21NO5 MolecularWeight: 367.39514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC3=CC=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C21H21NO5/c1-3-13-9-17-15(10-20(24)27-19(17)11-18(13)23)12-22-16-7-5-14(6-8-16)21(25)26-4-2/h5-11,22-23H,3-4,12H2,1-2H3