[5,6-bis(oxidanyl)indol-1-yl] 2-[7-(dimethylamino)-2-oxidanylidene-chromen-4-yl]ethanoate

Systemtic Name: [5,6-bis(oxidanyl)indol-1-yl] 2-[7-(dimethylamino)-2-oxidanylidene-chromen-4-yl]ethanoate Openeye Name: (5,6-dihydroxyindol-1-yl) 2-[7-(dimethylamino)-2-oxo-chromen-4-yl]acetate CAS Name: 2-[7-(dimethylamino)-2-oxo-1-benzopyran-4-yl]acetic acid (5,6-dihydroxy-1-indolyl) ester IUPAC Name: (5,6-dihydroxyindol-1-yl) 2-[7-(dimethylamino)-2-oxochromen-4-yl]acetate Traditional Name: 2-[7-(dimethylamino)-2-keto-chromen-4-yl]acetic acid (5,6-dihydroxyindol-1-yl) ester Formula: C21H18N2O6 MolecularWeight: 394.37742

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)ON3C=CC4=CC(=C(C=C43)O)O

Isomeric SMILES

CN(C)C1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)ON3C=CC4=CC(=C(C=C43)O)O

InChI

InChI=1S/C21H18N2O6/c1-22(2)14-3-4-15-13(8-20(26)28-19(15)10-14)9-21(27)29-23-6-5-12-7-17(24)18(25)11-16(12)23/h3-8,10-11,24-25H,9H2,1-2H3