3-[5-(4-chloranylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-benzoate

Systemtic Name: 3-[5-(4-chloranylphenoxy)-1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-benzoate Openeye Name: 3-[5-(4-chlorophenoxy)-1,3-dioxo-isoindolin-2-yl]-4-methyl-benzoate CAS Name: 3-[5-(4-chlorophenoxy)-1,3-dioxo-2-isoindolyl]-4-methylbenzoate IUPAC Name: 3-[5-(4-chlorophenoxy)-1,3-dioxoisoindol-2-yl]-4-methylbenzoate Traditional Name: 3-[5-(4-chlorophenoxy)-1,3-diketo-isoindolin-2-yl]-4-methyl-benzoate Formula: C22H13ClNO5- MolecularWeight: 406.79532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])N2C(=O)C3=C(C2=O)C=C(C=C3)OC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H14ClNO5/c1-12-2-3-13(22(27)28)10-19(12)24-20(25)17-9-8-16(11-18(17)21(24)26)29-15-6-4-14(23)5-7-15/h2-11H,1H3,(H,27,28)/p-1