(4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(3-methoxy-5-nitro-4-oxidanyl-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-2-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(4-hydroxy-3-methoxy-5-nitro-benzylidene)-2-piperonyl-isoquinoline-1,3-quinone Formula: C25H18N2O8 MolecularWeight: 474.41902

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C=C2C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C3=CC=CC=C3C(=O)N(C2=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C25H18N2O8/c1-33-22-11-15(9-19(23(22)28)27(31)32)8-18-16-4-2-3-5-17(16)24(29)26(25(18)30)12-14-6-7-20-21(10-14)35-13-34-20/h2-11,28H,12-13H2,1H3/b18-8+