(2,6-ditert-butyl-4-methoxy-phenyl) 4-[(4-fluorophenyl)amino]-2-nitro-butanoate

Systemtic Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-[(4-fluorophenyl)amino]-2-nitro-butanoate Openeye Name: (2,6-ditert-butyl-4-methoxy-phenyl) 4-(4-fluoroanilino)-2-nitro-butanoate CAS Name: 4-(4-fluoroanilino)-2-nitrobutanoic acid (2,6-ditert-butyl-4-methoxyphenyl) ester IUPAC Name: (2,6-ditert-butyl-4-methoxyphenyl) 4-(4-fluoroanilino)-2-nitrobutanoate Traditional Name: 4-(4-fluoroanilino)-2-nitro-butyric acid (2,6-ditert-butyl-4-methoxy-phenyl) ester Formula: C25H33FN2O5 MolecularWeight: 460.538323

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCNC2=CC=C(C=C2)F)[N+](=O)[O-])C(C)(C)C)OC

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OC(=O)C(CCNC2=CC=C(C=C2)F)[N+](=O)[O-])C(C)(C)C)OC

InChI

InChI=1S/C25H33FN2O5/c1-24(2,3)19-14-18(32-7)15-20(25(4,5)6)22(19)33-23(29)21(28(30)31)12-13-27-17-10-8-16(26)9-11-17/h8-11,14-15,21,27H,12-13H2,1-7H3