[2-bromanyl-6-methoxy-4-(2-nitroethenyl)phenyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-bromanyl-6-methoxy-4-(2-nitroethenyl)phenyl] 3-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-bromo-6-methoxy-4-(2-nitrovinyl)phenyl] 3-(1,3-dioxoisoindolin-2-yl)propanoate CAS Name: 3-(1,3-dioxo-2-isoindolyl)propanoic acid [2-bromo-6-methoxy-4-(2-nitroethenyl)phenyl] ester IUPAC Name: [2-bromo-6-methoxy-4-(2-nitroethenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 3-phthalimidopropionic acid [2-bromo-6-methoxy-4-(2-nitrovinyl)phenyl] ester Formula: C20H15BrN2O7 MolecularWeight: 475.2463

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Br)OC(=O)CCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H15BrN2O7/c1-29-16-11-12(6-9-23(27)28)10-15(21)18(16)30-17(24)7-8-22-19(25)13-4-2-3-5-14(13)20(22)26/h2-6,9-11H,7-8H2,1H3