N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)butanamide

Systemtic Name: N-(4-chloranyl-1-oxidanylidene-3-propoxy-isochromen-7-yl)butanamide Openeye Name: N-(4-chloro-1-oxo-3-propoxy-isochromen-7-yl)butanamide CAS Name: N-(4-chloro-1-oxo-3-propoxy-2-benzopyran-7-yl)butanamide IUPAC Name: N-(4-chloro-1-oxo-3-propoxyisochromen-7-yl)butanamide Traditional Name: N-(4-chloro-1-keto-3-propoxy-isochromen-7-yl)butyramide Formula: C16H18ClNO4 MolecularWeight: 323.77142

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC2=C(C=C1)C(=C(OC2=O)OCCC)Cl

Isomeric SMILES

CCCC(=O)NC1=CC2=C(C=C1)C(=C(OC2=O)OCCC)Cl

InChI

InChI=1S/C16H18ClNO4/c1-3-5-13(19)18-10-6-7-11-12(9-10)15(20)22-16(14(11)17)21-8-4-2/h6-7,9H,3-5,8H2,1-2H3,(H,18,19)