4-(4-chloranylphenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindole-1,3-dione

Systemtic Name: 4-(4-chloranylphenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindole-1,3-dione Openeye Name: 4-(4-chlorophenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindoline-1,3-dione CAS Name: 4-(4-chlorophenoxy)-2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione IUPAC Name: 4-(4-chlorophenoxy)-2-(4-methoxy-2-nitrophenyl)isoindole-1,3-dione Traditional Name: 4-(4-chlorophenoxy)-2-(4-methoxy-2-nitro-phenyl)isoindoline-1,3-quinone Formula: C21H13ClN2O6 MolecularWeight: 424.79072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)OC4=CC=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13ClN2O6/c1-29-14-9-10-16(17(11-14)24(27)28)23-20(25)15-3-2-4-18(19(15)21(23)26)30-13-7-5-12(22)6-8-13/h2-11H,1H3