4-[[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate

Systemtic Name: 4-[[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)ammonio]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[(4,5-dimethoxy-2-methoxycarbonylphenyl)ammonio]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[(4,5-dimethoxy-2-methoxycarbonylphenyl)azaniumyl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[[(2-carbomethoxy-4,5-dimethoxy-phenyl)ammonio]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C26H23NO7 MolecularWeight: 461.46332

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)[NH2+]CC2=CC(=O)OC3=CC(=C(C=C23)[O-])C4=CC=CC=C4)OC

InChI

InChI=1S/C26H23NO7/c1-31-23-12-19(26(30)33-3)20(13-24(23)32-2)27-14-16-9-25(29)34-22-11-17(21(28)10-18(16)22)15-7-5-4-6-8-15/h4-13,27-28H,14H2,1-3H3