6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-8-[[(4-methoxyphenyl)azaniumyl]methyl]-4-methyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-8-[[(4-methoxyphenyl)azaniumyl]methyl]-4-methyl-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-3-(2-methoxy-2-oxo-ethyl)-8-[[(4-methoxyphenyl)ammonio]methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-8-[[(4-methoxyphenyl)ammonio]methyl]-4-methyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-3-(2-methoxy-2-oxoethyl)-8-[[(4-methoxyphenyl)azaniumyl]methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 6-chloro-2-keto-3-(2-keto-2-methoxy-ethyl)-8-[[(4-methoxyphenyl)ammonio]methyl]-4-methyl-chromen-7-olate Formula: C21H20ClNO6 MolecularWeight: 417.8396

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C3=CC=C(C=C3)OC)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]C3=CC=C(C=C3)OC)CC(=O)OC

InChI

InChI=1S/C21H20ClNO6/c1-11-14-8-17(22)19(25)16(10-23-12-4-6-13(27-2)7-5-12)20(14)29-21(26)15(11)9-18(24)28-3/h4-8,23,25H,9-10H2,1-3H3