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

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

Systemtic Name:phenacyl 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoate
Openeye Name:phenacyl 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoate
CAS Name:3-(4-nitro-1,3-dioxo-2-isoindolyl)propanoic acid phenacyl ester
IUPAC Name:phenacyl 3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoate
Traditional Name:3-(1,3-diketo-4-nitro-isoindolin-2-yl)propionic acid phenacyl ester
Formula: C19H14N2O7
MolecularWeight: 382.32366
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]


InChI

InChI=1S/C19H14N2O7/c22-15(12-5-2-1-3-6-12)11-28-16(23)9-10-20-18(24)13-7-4-8-14(21(26)27)17(13)19(20)25/h1-8H,9-11H2


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