8-chloranyl-6-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate

Systemtic Name: 8-chloranyl-6-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-oxidanylidene-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Openeye Name: 8-chloro-6-[[(2,4-dimethoxyphenyl)methylammonio]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate CAS Name: 8-chloro-6-[[(2,4-dimethoxyphenyl)methylammonio]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-7-olate IUPAC Name: 8-chloro-6-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Traditional Name: 8-chloro-6-[[(2,4-dimethoxybenzyl)ammonio]methyl]-4-keto-2,3-dihydro-1H-cyclopenta[c]chromen-7-olate Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C[NH2+]CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCC4)C(=O)O3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C[NH2+]CC2=C3C(=CC(=C2[O-])Cl)C4=C(CCC4)C(=O)O3)OC

InChI

InChI=1S/C22H22ClNO5/c1-27-13-7-6-12(19(8-13)28-2)10-24-11-17-20(25)18(23)9-16-14-4-3-5-15(14)22(26)29-21(16)17/h6-9,24-25H,3-5,10-11H2,1-2H3