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

Systemtic Name: phenacyl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: phenacyl 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid phenacyl ester Formula: C23H14N2O7 MolecularWeight: 430.36646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H14N2O7/c26-19(14-5-2-1-3-6-14)13-32-23(29)15-9-11-16(12-10-15)24-21(27)17-7-4-8-18(25(30)31)20(17)22(24)28/h1-12H,13H2