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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O6/c1-2-3-10-27-19(24)12-6-4-7-13(11-12)20-17(22)14-8-5-9-15(21(25)26)16(14)18(20)23/h4-9,11H,2-3,10H2,1H3