(4E)-4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(4-hydroxy-3-methoxy-5-nitro-benzylidene)isoquinoline-1,3-quinone Formula: C17H12N2O6 MolecularWeight: 340.28698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C3=CC=CC=C3C(=O)NC2=O

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C3=CC=CC=C3C(=O)NC2=O

InChI

InChI=1S/C17H12N2O6/c1-25-14-8-9(7-13(15(14)20)19(23)24)6-12-10-4-2-3-5-11(10)16(21)18-17(12)22/h2-8,20H,1H3,(H,18,21,22)/b12-6+