5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]isoindole-1,3-dione

Systemtic Name: 5-[(3-methoxy-4-oxidanyl-phenyl)methylamino]isoindole-1,3-dione Openeye Name: 5-[(4-hydroxy-3-methoxy-phenyl)methylamino]isoindoline-1,3-dione CAS Name: 5-[(4-hydroxy-3-methoxyphenyl)methylamino]isoindole-1,3-dione IUPAC Name: 5-[(4-hydroxy-3-methoxyphenyl)methylamino]isoindole-1,3-dione Traditional Name: 5-(vanillylamino)isoindoline-1,3-quinone Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)C(=O)NC3=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNC2=CC3=C(C=C2)C(=O)NC3=O)O

InChI

InChI=1S/C16H14N2O4/c1-22-14-6-9(2-5-13(14)19)8-17-10-3-4-11-12(7-10)16(21)18-15(11)20/h2-7,17,19H,8H2,1H3,(H,18,20,21)