4-butoxy-6,7-bis(chloranyl)-2-(3-ethoxy-3-oxidanylidene-propyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid

Systemtic Name: 4-butoxy-6,7-bis(chloranyl)-2-(3-ethoxy-3-oxidanylidene-propyl)-1-oxidanylidene-isoquinoline-3-carboxylic acid Openeye Name: 4-butoxy-6,7-dichloro-2-(3-ethoxy-3-oxo-propyl)-1-oxo-isoquinoline-3-carboxylic acid CAS Name: 4-butoxy-6,7-dichloro-2-(3-ethoxy-3-oxopropyl)-1-oxo-3-isoquinolinecarboxylic acid IUPAC Name: 4-butoxy-6,7-dichloro-2-(3-ethoxy-3-oxopropyl)-1-oxoisoquinoline-3-carboxylic acid Traditional Name: 4-butoxy-6,7-dichloro-2-(3-ethoxy-3-keto-propyl)-1-keto-isoquinoline-3-carboxylic acid Formula: C19H21Cl2NO6 MolecularWeight: 430.27914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CCC(=O)OCC)C(=O)O

Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)CCC(=O)OCC)C(=O)O

InChI

InChI=1S/C19H21Cl2NO6/c1-3-5-8-28-17-11-9-13(20)14(21)10-12(11)18(24)22(16(17)19(25)26)7-6-15(23)27-4-2/h9-10H,3-8H2,1-2H3,(H,25,26)