propyl 4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate

Systemtic Name: propyl 4-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]benzoate Openeye Name: propyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate CAS Name: 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid propyl ester IUPAC Name: propyl 4-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)benzoic acid propyl ester Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3CC=CCC3C2=O

InChI

InChI=1S/C18H19NO4/c1-2-11-23-18(22)12-7-9-13(10-8-12)19-16(20)14-5-3-4-6-15(14)17(19)21/h3-4,7-10,14-15H,2,5-6,11H2,1H3