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

Systemtic Name: 4-[[[2,5-bis(methoxycarbonyl)phenyl]azaniumyl]methyl]-2-oxidanylidene-7-phenyl-chromen-6-olate Openeye Name: 4-[[[2,5-bis(methoxycarbonyl)phenyl]ammonio]methyl]-2-oxo-7-phenyl-chromen-6-olate CAS Name: 4-[[[2,5-bis(methoxycarbonyl)phenyl]ammonio]methyl]-2-oxo-7-phenyl-1-benzopyran-6-olate IUPAC Name: 4-[[[2,5-bis(methoxycarbonyl)phenyl]azaniumyl]methyl]-2-oxo-7-phenylchromen-6-olate Traditional Name: 4-[[(2,5-dicarbomethoxyphenyl)ammonio]methyl]-2-keto-7-phenyl-chromen-6-olate Formula: C26H21NO7 MolecularWeight: 459.44744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H21NO7/c1-32-25(30)16-8-9-18(26(31)33-2)21(10-16)27-14-17-11-24(29)34-23-13-19(22(28)12-20(17)23)15-6-4-3-5-7-15/h3-13,27-28H,14H2,1-2H3