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

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl 4-ethoxy-5-methoxy-2-nitro-benzoate Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)ethyl 4-ethoxy-5-methoxy-2-nitro-benzoate CAS Name: 4-ethoxy-5-methoxy-2-nitrobenzoic acid 2-(1,3-dioxo-2-isoindolyl)ethyl ester IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)ethyl 4-ethoxy-5-methoxy-2-nitrobenzoate Traditional Name: 4-ethoxy-5-methoxy-2-nitro-benzoic acid 2-phthalimidoethyl ester Formula: C20H18N2O8 MolecularWeight: 414.36552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)OCCN2C(=O)C3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C20H18N2O8/c1-3-29-17-11-15(22(26)27)14(10-16(17)28-2)20(25)30-9-8-21-18(23)12-6-4-5-7-13(12)19(21)24/h4-7,10-11H,3,8-9H2,1-2H3