(4-bromanyl-2-chloranyl-phenyl) 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoate

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-[1,3-bis(oxidanylidene)-3a,4,7,7a-tetrahydroisoindol-2-yl]ethanoate Openeye Name: (4-bromo-2-chloro-phenyl) 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate CAS Name: 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetate Traditional Name: 2-(1,3-diketo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetic acid (4-bromo-2-chloro-phenyl) ester Formula: C16H13BrClNO4 MolecularWeight: 398.63572

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC2C1C(=O)N(C2=O)CC(=O)OC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

C1C=CCC2C1C(=O)N(C2=O)CC(=O)OC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C16H13BrClNO4/c17-9-5-6-13(12(18)7-9)23-14(20)8-19-15(21)10-3-1-2-4-11(10)16(19)22/h1-2,5-7,10-11H,3-4,8H2