tert-butyl N-[4-(6-nitro-1-oxidanylidene-2,3-dihydroisoindol-4-yl)phenyl]carbamate

Systemtic Name: tert-butyl N-[4-(6-nitro-1-oxidanylidene-2,3-dihydroisoindol-4-yl)phenyl]carbamate Openeye Name: tert-butyl N-[4-(6-nitro-1-oxo-isoindolin-4-yl)phenyl]carbamate CAS Name: N-[4-(6-nitro-1-oxo-2,3-dihydroisoindol-4-yl)phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(6-nitro-1-oxo-2,3-dihydroisoindol-4-yl)phenyl]carbamate Traditional Name: N-[4-(1-keto-6-nitro-isoindolin-4-yl)phenyl]carbamic acid tert-butyl ester Formula: C19H19N3O5 MolecularWeight: 369.37126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=CC3=C2CNC3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=C(C=C1)C2=CC(=CC3=C2CNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O5/c1-19(2,3)27-18(24)21-12-6-4-11(5-7-12)14-8-13(22(25)26)9-15-16(14)10-20-17(15)23/h4-9H,10H2,1-3H3,(H,20,23)(H,21,24)