dimethyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-nitro-butyl]-3-methylidene-butanedioate

Systemtic Name: dimethyl 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]-1-nitro-butyl]-3-methylidene-butanedioate Openeye Name: dimethyl 2-[4-(1,3-dioxoisoindolin-2-yl)-1-nitro-butyl]-3-methylene-butanedioate CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)-1-nitrobutyl]-3-methylenebutanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[4-(1,3-dioxoisoindol-2-yl)-1-nitrobutyl]-3-methylidenebutanedioate Traditional Name: 2-methylene-3-(1-nitro-4-phthalimido-butyl)succinic acid dimethyl ester Formula: C19H20N2O8 MolecularWeight: 404.3707

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(CCCN1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-])C(=C)C(=O)OC

Isomeric SMILES

COC(=O)C(C(CCCN1C(=O)C2=CC=CC=C2C1=O)[N+](=O)[O-])C(=C)C(=O)OC

InChI

InChI=1S/C19H20N2O8/c1-11(18(24)28-2)15(19(25)29-3)14(21(26)27)9-6-10-20-16(22)12-7-4-5-8-13(12)17(20)23/h4-5,7-8,14-15H,1,6,9-10H2,2-3H3