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

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

Systemtic Name:4-butoxy-6,7-bis(chloranyl)-2-cyclopropyl-1-oxidanylidene-isoquinoline-3-carboxylic acid
Openeye Name:4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxo-isoquinoline-3-carboxylic acid
CAS Name:4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxo-3-isoquinolinecarboxylic acid
IUPAC Name:4-butoxy-6,7-dichloro-2-cyclopropyl-1-oxoisoquinoline-3-carboxylic acid
Traditional Name:4-butoxy-6,7-dichloro-2-cyclopropyl-1-keto-isoquinoline-3-carboxylic acid
Formula: C17H17Cl2NO4
MolecularWeight: 370.22718
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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C3CC3)C(=O)O


Isomeric SMILES

CCCCOC1=C(N(C(=O)C2=CC(=C(C=C21)Cl)Cl)C3CC3)C(=O)O


InChI

InChI=1S/C17H17Cl2NO4/c1-2-3-6-24-15-10-7-12(18)13(19)8-11(10)16(21)20(9-4-5-9)14(15)17(22)23/h7-9H,2-6H2,1H3,(H,22,23)


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