[4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] ethanoate

Systemtic Name: [4-methyl-2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] ethanoate Openeye Name: [4-methyl-2-(4-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] acetate CAS Name: acetic acid [4-methyl-2-(4-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [4-methyl-2-(4-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate Traditional Name: acetic acid [2-(1,3-diketo-4-nitro-isoindolin-2-yl)-4-methyl-phenyl] ester Formula: C17H12N2O6 MolecularWeight: 340.28698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C)N2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O6/c1-9-6-7-14(25-10(2)20)13(8-9)18-16(21)11-4-3-5-12(19(23)24)15(11)17(18)22/h3-8H,1-2H3