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

Systemtic Name: (3E)-3-[(3-chloranyl-4-ethoxy-phenyl)-oxidanyl-methylidene]isoquinoline-1,4-dione Openeye Name: (3E)-3-[(3-chloro-4-ethoxy-phenyl)-hydroxy-methylene]isoquinoline-1,4-dione CAS Name: (3E)-3-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]isoquinoline-1,4-dione IUPAC Name: (3E)-3-[(3-chloro-4-ethoxyphenyl)-hydroxymethylidene]isoquinoline-1,4-dione Traditional Name: (3E)-3-[(3-chloro-4-ethoxy-phenyl)-hydroxy-methylene]isoquinoline-1,4-quinone Formula: C18H14ClNO4 MolecularWeight: 343.76106

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=C2C(=O)C3=CC=CC=C3C(=O)N2)O)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)/C(=C\2/C(=O)C3=CC=CC=C3C(=O)N2)/O)Cl

InChI

InChI=1S/C18H14ClNO4/c1-2-24-14-8-7-10(9-13(14)19)16(21)15-17(22)11-5-3-4-6-12(11)18(23)20-15/h3-9,21H,2H2,1H3,(H,20,23)/b16-15+