tert-butyl N-[3-[4-nitro-3-[(E)-3-oxidanylideneprop-1-enyl]phenoxy]propyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-nitro-3-[(E)-3-oxidanylideneprop-1-enyl]phenoxy]propyl]carbamate Openeye Name: tert-butyl N-[3-[4-nitro-3-[(E)-3-oxoprop-1-enyl]phenoxy]propyl]carbamate CAS Name: N-[3-[4-nitro-3-[(E)-3-oxoprop-1-enyl]phenoxy]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-nitro-3-[(E)-3-oxoprop-1-enyl]phenoxy]propyl]carbamate Traditional Name: N-[3-[3-[(E)-3-ketoprop-1-enyl]-4-nitro-phenoxy]propyl]carbamic acid tert-butyl ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCOC1=CC(=C(C=C1)[N+](=O)[O-])C=CC=O

Isomeric SMILES

CC(C)(C)OC(=O)NCCCOC1=CC(=C(C=C1)[N+](=O)[O-])/C=C/C=O

InChI

InChI=1S/C17H22N2O6/c1-17(2,3)25-16(21)18-9-5-11-24-14-7-8-15(19(22)23)13(12-14)6-4-10-20/h4,6-8,10,12H,5,9,11H2,1-3H3,(H,18,21)/b6-4+