6-chloranyl-8-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-ethyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-8-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-ethyl-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-8-[[(2,4-dimethoxyphenyl)methylammonio]methyl]-4-ethyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[[(2,4-dimethoxyphenyl)methylammonio]methyl]-4-ethyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-4-ethyl-2-oxochromen-7-olate Traditional Name: 6-chloro-8-[[(2,4-dimethoxybenzyl)ammonio]methyl]-4-ethyl-2-keto-chromen-7-olate Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C21H22ClNO5/c1-4-12-7-19(24)28-21-15(12)9-17(22)20(25)16(21)11-23-10-13-5-6-14(26-2)8-18(13)27-3/h5-9,23,25H,4,10-11H2,1-3H3