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

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

Systemtic Name:pentyl 4-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate
Openeye Name:pentyl 4-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate
CAS Name:4-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid pentyl ester
IUPAC Name:pentyl 4-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate
Traditional Name:4-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid amyl ester
Formula: C20H18N2O6
MolecularWeight: 382.36672
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C20H18N2O6/c1-2-3-4-12-28-20(25)13-8-10-14(11-9-13)21-18(23)15-6-5-7-16(22(26)27)17(15)19(21)24/h5-11H,2-4,12H2,1H3


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