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

Systemtic Name: 4-[[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)azaniumyl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[(4,5-dimethoxy-2-methoxycarbonyl-phenyl)ammonio]methyl]-7-methyl-2-oxo-chromen-6-olate CAS Name: 4-[[(4,5-dimethoxy-2-methoxycarbonylphenyl)ammonio]methyl]-7-methyl-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[(4,5-dimethoxy-2-methoxycarbonylphenyl)azaniumyl]methyl]-7-methyl-2-oxochromen-6-olate Traditional Name: 4-[[(2-carbomethoxy-4,5-dimethoxy-phenyl)ammonio]methyl]-2-keto-7-methyl-chromen-6-olate Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3=CC(=C(C=C3C(=O)OC)OC)OC)[O-]

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C3=CC(=C(C=C3C(=O)OC)OC)OC)[O-]

InChI

InChI=1S/C21H21NO7/c1-11-5-17-13(7-16(11)23)12(6-20(24)29-17)10-22-15-9-19(27-3)18(26-2)8-14(15)21(25)28-4/h5-9,22-23H,10H2,1-4H3