N-[2-(4-methoxyphenyl)ethyl]-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide

Systemtic Name: N-[2-(4-methoxyphenyl)ethyl]-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-[2-(4-methoxyphenyl)ethyl]-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-[2-(4-methoxyphenyl)ethyl]-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-[2-(4-methoxyphenyl)ethyl]-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-[2-(4-methoxyphenyl)ethyl]propionamide Formula: C20H19N3O6 MolecularWeight: 397.38136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CCNC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O6/c1-29-14-7-5-13(6-8-14)9-11-21-17(24)10-12-22-19(25)15-3-2-4-16(23(27)28)18(15)20(22)26/h2-8H,9-12H2,1H3,(H,21,24)