ethyl 5-oxidanyl-1H-indole-2-carboxylate; (6-oxidanyl-1H-indol-5-yl) ethanoate

Systemtic Name: ethyl 5-oxidanyl-1H-indole-2-carboxylate; (6-oxidanyl-1H-indol-5-yl) ethanoate Openeye Name: ethyl 5-hydroxy-1H-indole-2-carboxylate; (6-hydroxy-1H-indol-5-yl) acetate CAS Name: acetic acid (6-hydroxy-1H-indol-5-yl) ester; 5-hydroxy-1H-indole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-hydroxy-1H-indole-2-carboxylate; (6-hydroxy-1H-indol-5-yl) acetate Traditional Name: acetic acid (6-hydroxy-1H-indol-5-yl) ester; 5-hydroxy-1H-indole-2-carboxylic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)O.CC(=O)OC1=C(C=C2C(=C1)C=CN2)O

Isomeric SMILES

CCOC(=O)C1=CC2=C(N1)C=CC(=C2)O.CC(=O)OC1=C(C=C2C(=C1)C=CN2)O

InChI

InChI=1S/C11H11NO3.C10H9NO3/c1-2-15-11(14)10-6-7-5-8(13)3-4-9(7)12-10;1-6(12)14-10-4-7-2-3-11-8(7)5-9(10)13/h3-6,12-13H,2H2,1H3;2-5,11,13H,1H3