ethyl 7-chloranyl-1-oxidanylidene-2-(3-oxidanylpropyl)isoquinoline-4-carboxylate

Systemtic Name: ethyl 7-chloranyl-1-oxidanylidene-2-(3-oxidanylpropyl)isoquinoline-4-carboxylate Openeye Name: ethyl 7-chloro-2-(3-hydroxypropyl)-1-oxo-isoquinoline-4-carboxylate CAS Name: 7-chloro-2-(3-hydroxypropyl)-1-oxo-4-isoquinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 7-chloro-2-(3-hydroxypropyl)-1-oxoisoquinoline-4-carboxylate Traditional Name: 7-chloro-2-(3-hydroxypropyl)-1-keto-isoquinoline-4-carboxylic acid ethyl ester Formula: C15H16ClNO4 MolecularWeight: 309.74484

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C(=O)C2=C1C=CC(=C2)Cl)CCCO

Isomeric SMILES

CCOC(=O)C1=CN(C(=O)C2=C1C=CC(=C2)Cl)CCCO

InChI

InChI=1S/C15H16ClNO4/c1-2-21-15(20)13-9-17(6-3-7-18)14(19)12-8-10(16)4-5-11(12)13/h4-5,8-9,18H,2-3,6-7H2,1H3