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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6/c1-2-14(20)25-11-6-3-5-10(9-11)18-16(21)12-7-4-8-13(19(23)24)15(12)17(18)22/h3-9H,2H2,1H3