propan-2-yl 4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]benzoate Openeye Name: isopropyl 4-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]benzoate CAS Name: 4-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]benzoic acid isopropyl ester Formula: C21H19N3O7 MolecularWeight: 425.39146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O7/c1-12(2)31-21(28)13-6-8-14(9-7-13)22-17(25)10-11-23-19(26)15-4-3-5-16(24(29)30)18(15)20(23)27/h3-9,12H,10-11H2,1-2H3,(H,22,25)