naphthalen-2-yl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate

Systemtic Name: naphthalen-2-yl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]butanoate Openeye Name: 2-naphthyl 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)butanoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)butanoic acid 2-naphthalenyl ester IUPAC Name: naphthalen-2-yl 4-(4-nitro-1,3-dioxoisoindol-2-yl)butanoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)butyric acid 2-naphthyl ester Formula: C22H16N2O6 MolecularWeight: 404.37224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C=CC2=C1)OC(=O)CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C=C(C=CC2=C1)OC(=O)CCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O6/c25-19(30-16-11-10-14-5-1-2-6-15(14)13-16)9-4-12-23-21(26)17-7-3-8-18(24(28)29)20(17)22(23)27/h1-3,5-8,10-11,13H,4,9,12H2