tert-butyl N-[3-[(4-fluoranyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]carbamate

Systemtic Name: tert-butyl N-[3-[(4-fluoranyl-3-nitro-phenyl)amino]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-(4-fluoro-3-nitro-anilino)-3-oxo-propyl]carbamate CAS Name: N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-(4-fluoro-3-nitroanilino)-3-oxopropyl]carbamate Traditional Name: N-[3-(4-fluoro-3-nitro-anilino)-3-keto-propyl]carbamic acid tert-butyl ester Formula: C14H18FN3O5 MolecularWeight: 327.308223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NCCC(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-]

InChI

InChI=1S/C14H18FN3O5/c1-14(2,3)23-13(20)16-7-6-12(19)17-9-4-5-10(15)11(8-9)18(21)22/h4-5,8H,6-7H2,1-3H3,(H,16,20)(H,17,19)