N-(3-ethoxyphenyl)-N'-[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]butanediamide

Systemtic Name: N-(3-ethoxyphenyl)-N'-[1,3,4-tris(oxidanylidene)isoquinolin-6-yl]butanediamide Openeye Name: N-(3-ethoxyphenyl)-N'-(1,3,4-trioxo-6-isoquinolyl)butanediamide CAS Name: N-(3-ethoxyphenyl)-N'-(1,3,4-trioxo-6-isoquinolinyl)butanediamide IUPAC Name: N-(3-ethoxyphenyl)-N'-(1,3,4-trioxoisoquinolin-6-yl)butanediamide Traditional Name: N-m-phenetyl-N'-(1,3,4-triketo-6-isoquinolyl)succinamide Formula: C21H19N3O6 MolecularWeight: 409.39206

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)NC(=O)CCC(=O)NC2=CC3=C(C=C2)C(=O)NC(=O)C3=O

Isomeric SMILES

CCOC1=CC=CC(=C1)NC(=O)CCC(=O)NC2=CC3=C(C=C2)C(=O)NC(=O)C3=O

InChI

InChI=1S/C21H19N3O6/c1-2-30-14-5-3-4-12(10-14)22-17(25)8-9-18(26)23-13-6-7-15-16(11-13)19(27)21(29)24-20(15)28/h3-7,10-11H,2,8-9H2,1H3,(H,22,25)(H,23,26)(H,24,28,29)