3-chloranyl-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carbaldehyde

Systemtic Name: 3-chloranyl-2-(2-methylpropyl)-1-oxidanylidene-isoquinoline-4-carbaldehyde Openeye Name: 3-chloro-2-isobutyl-1-oxo-isoquinoline-4-carbaldehyde CAS Name: 3-chloro-2-(2-methylpropyl)-1-oxo-4-isoquinolinecarboxaldehyde IUPAC Name: 3-chloro-2-(2-methylpropyl)-1-oxoisoquinoline-4-carbaldehyde Traditional Name: 3-chloro-2-isobutyl-1-keto-isoquinoline-4-carbaldehyde Formula: C14H14ClNO2 MolecularWeight: 263.71946

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=C(C2=CC=CC=C2C1=O)C=O)Cl

Isomeric SMILES

CC(C)CN1C(=C(C2=CC=CC=C2C1=O)C=O)Cl

InChI

InChI=1S/C14H14ClNO2/c1-9(2)7-16-13(15)12(8-17)10-5-3-4-6-11(10)14(16)18/h3-6,8-9H,7H2,1-2H3