butyl 4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate

Systemtic Name: butyl 4-[5-(3-nitrophenyl)carbonyl-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: butyl 4-[5-(3-nitrobenzoyl)-1,3-dioxo-isoindolin-2-yl]benzoate CAS Name: 4-[5-[(3-nitrophenyl)-oxomethyl]-1,3-dioxo-2-isoindolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[5-(3-nitrobenzoyl)-1,3-dioxoisoindol-2-yl]benzoate Traditional Name: 4-[1,3-diketo-5-(3-nitrobenzoyl)isoindolin-2-yl]benzoic acid butyl ester Formula: C26H20N2O7 MolecularWeight: 472.4462

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H20N2O7/c1-2-3-13-35-26(32)16-7-10-19(11-8-16)27-24(30)21-12-9-18(15-22(21)25(27)31)23(29)17-5-4-6-20(14-17)28(33)34/h4-12,14-15H,2-3,13H2,1H3