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

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 4-[1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 4-(1,3-dioxoisoindolin-2-yl)benzoate CAS Name: 4-(1,3-dioxo-2-isoindolyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 4-(1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-phthalimidobenzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C23H16N2O7 MolecularWeight: 432.38234

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H16N2O7/c1-31-20-11-10-17(25(29)30)12-15(20)13-32-23(28)14-6-8-16(9-7-14)24-21(26)18-4-2-3-5-19(18)22(24)27/h2-12H,13H2,1H3