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

Systemtic Name: 2-methylpropyl 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: isobutyl 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid isobutyl ester Formula: C19H16N2O6 MolecularWeight: 368.34014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC(=CC=C1)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O6/c1-11(2)10-27-19(24)12-5-3-6-13(9-12)20-17(22)14-7-4-8-15(21(25)26)16(14)18(20)23/h3-9,11H,10H2,1-2H3