5-[[3,4-bis(oxidanyl)phenyl]methylamino]-2-methyl-isoindole-1,3-dione

Systemtic Name: 5-[[3,4-bis(oxidanyl)phenyl]methylamino]-2-methyl-isoindole-1,3-dione Openeye Name: 5-[(3,4-dihydroxyphenyl)methylamino]-2-methyl-isoindoline-1,3-dione CAS Name: 5-[(3,4-dihydroxyphenyl)methylamino]-2-methylisoindole-1,3-dione IUPAC Name: 5-[(3,4-dihydroxyphenyl)methylamino]-2-methylisoindole-1,3-dione Traditional Name: 2-methyl-5-(protocatechuylamino)isoindoline-1,3-quinone Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C1=O)C=C(C=C2)NCC3=CC(=C(C=C3)O)O

Isomeric SMILES

CN1C(=O)C2=C(C1=O)C=C(C=C2)NCC3=CC(=C(C=C3)O)O

InChI

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