tert-butyl 2-[4-(6-nitro-3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate

Systemtic Name: tert-butyl 2-[4-(6-nitro-3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoate Openeye Name: tert-butyl 2-[4-(5-nitro-1-oxo-isoindolin-2-yl)phenyl]propanoate CAS Name: 2-[4-(6-nitro-3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-(6-nitro-3-oxo-1H-isoindol-2-yl)phenyl]propanoate Traditional Name: 2-[4-(1-keto-5-nitro-isoindolin-2-yl)phenyl]propionic acid tert-butyl ester Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C(=O)OC(C)(C)C

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=C(C2=O)C=CC(=C3)[N+](=O)[O-])C(=O)OC(C)(C)C

InChI

InChI=1S/C21H22N2O5/c1-13(20(25)28-21(2,3)4)14-5-7-16(8-6-14)22-12-15-11-17(23(26)27)9-10-18(15)19(22)24/h5-11,13H,12H2,1-4H3