(3-fluoranyl-4-methoxy-phenyl)methyl 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-[(2-nitrophenyl)amino]butanoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid (3-fluoro-4-methoxy-benzyl) ester Formula: C18H19FN2O5 MolecularWeight: 362.352263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-])F

InChI

InChI=1S/C18H19FN2O5/c1-25-17-9-8-13(11-14(17)19)12-26-18(22)7-4-10-20-15-5-2-3-6-16(15)21(23)24/h2-3,5-6,8-9,11,20H,4,7,10,12H2,1H3