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

Systemtic Name: phenacyl 3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]benzoate Openeye Name: phenacyl 3-(4-nitro-1,3-dioxo-isoindolin-2-yl)benzoate CAS Name: 3-(4-nitro-1,3-dioxo-2-isoindolyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 3-(4-nitro-1,3-dioxoisoindol-2-yl)benzoate Traditional Name: 3-(1,3-diketo-4-nitro-isoindolin-2-yl)benzoic acid phenacyl ester Formula: C23H14N2O7 MolecularWeight: 430.36646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=CC=C2)N3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H14N2O7/c26-19(14-6-2-1-3-7-14)13-32-23(29)15-8-4-9-16(12-15)24-21(27)17-10-5-11-18(25(30)31)20(17)22(24)28/h1-12H,13H2