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

Systemtic Name: heptyl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: heptyl 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid heptyl ester IUPAC Name: heptyl 4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 4-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid heptyl ester Formula: C22H22N2O6 MolecularWeight: 410.41988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O6/c1-2-3-4-5-6-14-30-22(27)15-10-12-16(13-11-15)23-20(25)17-8-7-9-18(24(28)29)19(17)21(23)26/h7-13H,2-6,14H2,1H3