(4Z)-4-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4Z)-4-[(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4Z)-4-[(3-chloro-5-ethoxy-4-propoxy-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4Z)-4-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4Z)-4-[(3-chloro-5-ethoxy-4-propoxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4Z)-4-(3-chloro-5-ethoxy-4-propoxy-benzylidene)isoquinoline-1,3-quinone Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=C2C3=CC=CC=C3C(=O)NC2=O)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C\2/C3=CC=CC=C3C(=O)NC2=O)OCC

InChI

InChI=1S/C21H20ClNO4/c1-3-9-27-19-17(22)11-13(12-18(19)26-4-2)10-16-14-7-5-6-8-15(14)20(24)23-21(16)25/h5-8,10-12H,3-4,9H2,1-2H3,(H,23,24,25)/b16-10-