2-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-1H-isoindole-4-carboxylate

Systemtic Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxidanylidene-1H-isoindole-4-carboxylate Openeye Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-isoindoline-4-carboxylate CAS Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxylate IUPAC Name: 2-[(3,4-dimethoxyphenyl)methyl]-3-oxo-1H-isoindole-4-carboxylate Traditional Name: 3-keto-2-veratryl-isoindoline-4-carboxylate Formula: C18H16NO5- MolecularWeight: 326.32334

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CC3=CC=CC(=C3C2=O)C(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CC3=CC=CC(=C3C2=O)C(=O)[O-])OC

InChI

InChI=1S/C18H17NO5/c1-23-14-7-6-11(8-15(14)24-2)9-19-10-12-4-3-5-13(18(21)22)16(12)17(19)20/h3-8H,9-10H2,1-2H3,(H,21,22)/p-1