2-[(3-nitro-4-oxidanyl-phenyl)methyl]isoindole-1,3-dione

Systemtic Name: 2-[(3-nitro-4-oxidanyl-phenyl)methyl]isoindole-1,3-dione Openeye Name: 2-[(4-hydroxy-3-nitro-phenyl)methyl]isoindoline-1,3-dione CAS Name: 2-[(4-hydroxy-3-nitrophenyl)methyl]isoindole-1,3-dione IUPAC Name: 2-[(4-hydroxy-3-nitrophenyl)methyl]isoindole-1,3-dione Traditional Name: 2-(4-hydroxy-3-nitro-benzyl)isoindoline-1,3-quinone Formula: C15H10N2O5 MolecularWeight: 298.2503

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CC3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O5/c18-13-6-5-9(7-12(13)17(21)22)8-16-14(19)10-3-1-2-4-11(10)15(16)20/h1-7,18H,8H2