(4-methoxy-2-nitro-phenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: (4-methoxy-2-nitro-phenyl) 3-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (4-methoxy-2-nitro-phenyl) 3-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)benzoic acid (4-methoxy-2-nitrophenyl) ester IUPAC Name: (4-methoxy-2-nitrophenyl) 3-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-phthalimidobenzoic acid (4-methoxy-2-nitro-phenyl) ester Formula: C22H14N2O7 MolecularWeight: 418.35576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC(=O)C2=CC(=CC=C2)N3C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O7/c1-30-15-9-10-19(18(12-15)24(28)29)31-22(27)13-5-4-6-14(11-13)23-20(25)16-7-2-3-8-17(16)21(23)26/h2-12H,1H3