[3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] ethanoate

Systemtic Name: [3-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]phenyl] ethanoate Openeye Name: [3-(5-nitro-1,3-dioxo-isoindolin-2-yl)phenyl] acetate CAS Name: acetic acid [3-(5-nitro-1,3-dioxo-2-isoindolyl)phenyl] ester IUPAC Name: [3-(5-nitro-1,3-dioxoisoindol-2-yl)phenyl] acetate Traditional Name: acetic acid [3-(1,3-diketo-5-nitro-isoindolin-2-yl)phenyl] ester Formula: C16H10N2O6 MolecularWeight: 326.2604

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O6/c1-9(19)24-12-4-2-3-10(7-12)17-15(20)13-6-5-11(18(22)23)8-14(13)16(17)21/h2-8H,1H3