tert-butyl 1-[5-(cyclopropylamino)-2-fluoranyl-4-nitro-phenyl]pyrrole-2-carboxylate

Systemtic Name: tert-butyl 1-[5-(cyclopropylamino)-2-fluoranyl-4-nitro-phenyl]pyrrole-2-carboxylate Openeye Name: tert-butyl 1-[5-(cyclopropylamino)-2-fluoro-4-nitro-phenyl]pyrrole-2-carboxylate CAS Name: 1-[5-(cyclopropylamino)-2-fluoro-4-nitrophenyl]-2-pyrrolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[5-(cyclopropylamino)-2-fluoro-4-nitrophenyl]pyrrole-2-carboxylate Traditional Name: 1-[5-(cyclopropylamino)-2-fluoro-4-nitro-phenyl]pyrrole-2-carboxylic acid tert-butyl ester Formula: C18H20FN3O4 MolecularWeight: 361.367503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=CN1C2=CC(=C(C=C2F)[N+](=O)[O-])NC3CC3

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=CN1C2=CC(=C(C=C2F)[N+](=O)[O-])NC3CC3

InChI

InChI=1S/C18H20FN3O4/c1-18(2,3)26-17(23)14-5-4-8-21(14)15-10-13(20-11-6-7-11)16(22(24)25)9-12(15)19/h4-5,8-11,20H,6-7H2,1-3H3