(4E)-4-[[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[[5-(4-chloranyl-2-nitro-phenyl)furan-2-yl]methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[[5-(4-chloro-2-nitro-phenyl)-2-furyl]methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[[5-(4-chloro-2-nitrophenyl)-2-furanyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[[5-(4-chloro-2-nitrophenyl)furan-2-yl]methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-[[5-(4-chloro-2-nitro-phenyl)-2-furyl]methylene]isoquinoline-1,3-quinone Formula: C20H11ClN2O5 MolecularWeight: 394.76474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\C3=CC=C(O3)C4=C(C=C(C=C4)Cl)[N+](=O)[O-])/C(=O)NC2=O

InChI

InChI=1S/C20H11ClN2O5/c21-11-5-7-15(17(9-11)23(26)27)18-8-6-12(28-18)10-16-13-3-1-2-4-14(13)19(24)22-20(16)25/h1-10H,(H,22,24,25)/b16-10+