3-(2-bromanylphenoxy)-8-[(2-carboxypyrrolidin-1-ium-1-yl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate

Systemtic Name: 3-(2-bromanylphenoxy)-8-[(2-carboxypyrrolidin-1-ium-1-yl)methyl]-2-methyl-4-oxidanylidene-chromen-7-olate Openeye Name: 3-(2-bromophenoxy)-8-[(2-carboxypyrrolidin-1-ium-1-yl)methyl]-2-methyl-4-oxo-chromen-7-olate CAS Name: 3-(2-bromophenoxy)-8-[(2-carboxy-1-pyrrolidin-1-iumyl)methyl]-2-methyl-4-oxo-1-benzopyran-7-olate IUPAC Name: 3-(2-bromophenoxy)-8-[(2-carboxypyrrolidin-1-ium-1-yl)methyl]-2-methyl-4-oxochromen-7-olate Traditional Name: 3-(2-bromophenoxy)-8-[(2-carboxypyrrolidin-1-ium-1-yl)methyl]-4-keto-2-methyl-chromen-7-olate Formula: C22H20BrNO6 MolecularWeight: 474.3013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3C(=O)O)OC4=CC=CC=C4Br

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)[O-])C[NH+]3CCCC3C(=O)O)OC4=CC=CC=C4Br

InChI

InChI=1S/C22H20BrNO6/c1-12-20(30-18-7-3-2-5-15(18)23)19(26)13-8-9-17(25)14(21(13)29-12)11-24-10-4-6-16(24)22(27)28/h2-3,5,7-9,16,25H,4,6,10-11H2,1H3,(H,27,28)