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

Systemtic Name: N-(furan-2-ylmethyl)-3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanamide Openeye Name: N-(2-furylmethyl)-3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanamide CAS Name: N-(2-furanylmethyl)-3-(4-nitro-1,3-dioxo-2-isoindolyl)propanamide IUPAC Name: N-(furan-2-ylmethyl)-3-(4-nitro-1,3-dioxoisoindol-2-yl)propanamide Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)-N-(2-furfuryl)propionamide Formula: C16H13N3O6 MolecularWeight: 343.29092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NCC3=CC=CO3

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])C(=O)N(C2=O)CCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C16H13N3O6/c20-13(17-9-10-3-2-8-25-10)6-7-18-15(21)11-4-1-5-12(19(23)24)14(11)16(18)22/h1-5,8H,6-7,9H2,(H,17,20)