(3-fluoranyl-4-methoxy-phenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H23FN2O5 MolecularWeight: 402.416123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])F

Isomeric SMILES

COC1=C(C=C(C=C1)COC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-])F

InChI

InChI=1S/C21H23FN2O5/c1-28-20-9-6-15(12-17(20)22)14-29-21(25)16-7-8-18(19(13-16)24(26)27)23-10-4-2-3-5-11-23/h6-9,12-13H,2-5,10-11,14H2,1H3