[2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate

Systemtic Name: [2-(cyclohexylamino)-2-oxidanylidene-ethyl] 4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]pentanoate Openeye Name: [2-(cyclohexylamino)-2-oxo-ethyl] 4-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)pentanoate CAS Name: 4-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)pentanoic acid [2-(cyclohexylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylamino)-2-oxoethyl] 4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)pentanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-methyl-valeric acid [2-(cyclohexylamino)-2-keto-ethyl] ester Formula: C22H27N3O7 MolecularWeight: 445.46568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OCC(=O)NC1CCCCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)OCC(=O)NC1CCCCC1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O7/c1-13(2)11-17(22(29)32-12-18(26)23-14-7-4-3-5-8-14)24-20(27)15-9-6-10-16(25(30)31)19(15)21(24)28/h6,9-10,13-14,17H,3-5,7-8,11-12H2,1-2H3,(H,23,26)