[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate CAS Name: 2-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate Traditional Name: 2-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C22H19N3O7 MolecularWeight: 437.40216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC(C1=CC=CC=C1)C(=O)NC2CC2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC(C1=CC=CC=C1)C(=O)NC2CC2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N3O7/c1-12(24-20(27)15-8-5-9-16(25(30)31)17(15)21(24)28)22(29)32-18(13-6-3-2-4-7-13)19(26)23-14-10-11-14/h2-9,12,14,18H,10-11H2,1H3,(H,23,26)