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

Systemtic Name: 4-[[[2,5-bis(methoxycarbonyl)phenyl]azaniumyl]methyl]-7-methyl-2-oxidanylidene-chromen-6-olate Openeye Name: 4-[[[2,5-bis(methoxycarbonyl)phenyl]ammonio]methyl]-7-methyl-2-oxo-chromen-6-olate CAS Name: 4-[[[2,5-bis(methoxycarbonyl)phenyl]ammonio]methyl]-7-methyl-2-oxo-1-benzopyran-6-olate IUPAC Name: 4-[[[2,5-bis(methoxycarbonyl)phenyl]azaniumyl]methyl]-7-methyl-2-oxochromen-6-olate Traditional Name: 4-[[(2,5-dicarbomethoxyphenyl)ammonio]methyl]-2-keto-7-methyl-chromen-6-olate Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO7/c1-11-6-18-15(9-17(11)23)13(8-19(24)29-18)10-22-16-7-12(20(25)27-2)4-5-14(16)21(26)28-3/h4-9,22-23H,10H2,1-3H3