(4E)-4-[[5-(2-nitrophenyl)thiophen-2-yl]methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[[5-(2-nitrophenyl)thiophen-2-yl]methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[[5-(2-nitrophenyl)-2-thienyl]methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[[5-(2-nitrophenyl)-2-thiophenyl]methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[[5-(2-nitrophenyl)thiophen-2-yl]methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-[[5-(2-nitrophenyl)-2-thienyl]methylene]isoquinoline-1,3-quinone Formula: C20H12N2O4S MolecularWeight: 376.38528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC3=CC=C(S3)C4=CC=CC=C4[N+](=O)[O-])C(=O)NC2=O

Isomeric SMILES

C1=CC=C2C(=C1)/C(=C\C3=CC=C(S3)C4=CC=CC=C4[N+](=O)[O-])/C(=O)NC2=O

InChI

InChI=1S/C20H12N2O4S/c23-19-14-6-2-1-5-13(14)16(20(24)21-19)11-12-9-10-18(27-12)15-7-3-4-8-17(15)22(25)26/h1-11H,(H,21,23,24)/b16-11+