(4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]isoquinoline-1,3-dione

Systemtic Name: (4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylidene]isoquinoline-1,3-dione Openeye Name: (4E)-4-[(3-ethoxy-4-prop-2-ynoxy-phenyl)methylene]isoquinoline-1,3-dione CAS Name: (4E)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]isoquinoline-1,3-dione IUPAC Name: (4E)-4-[(3-ethoxy-4-prop-2-ynoxyphenyl)methylidene]isoquinoline-1,3-dione Traditional Name: (4E)-4-(3-ethoxy-4-propargyloxy-benzylidene)isoquinoline-1,3-quinone Formula: C21H17NO4 MolecularWeight: 347.36398

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C2C3=CC=CC=C3C(=O)NC2=O)OCC#C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/2\C3=CC=CC=C3C(=O)NC2=O)OCC#C

InChI

InChI=1S/C21H17NO4/c1-3-11-26-18-10-9-14(13-19(18)25-4-2)12-17-15-7-5-6-8-16(15)20(23)22-21(17)24/h1,5-10,12-13H,4,11H2,2H3,(H,22,23,24)/b17-12+