(4E)-4-[(3-nitro-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(3-nitro-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(4-hydroxy-3-nitro-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[(4-hydroxy-3-nitrophenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(4-hydroxy-3-nitrophenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(4-hydroxy-3-nitro-benzylidene)isoquinoline-1,3-quinone Formula: C16H10N2O5 MolecularWeight: 310.261

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC(=C(C=C3)O)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\C3=CC(=C(C=C3)O)[N+](=O)[O-])/C(=O)NC2=O

InChI

InChI=1S/C16H10N2O5/c19-14-6-5-9(8-13(14)18(22)23)7-12-10-3-1-2-4-11(10)15(20)17-16(12)21/h1-8,19H,(H,17,20,21)/b12-7+