(2-fluorophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (2-fluorophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (2-fluorophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (2-fluorophenyl)methyl ester IUPAC Name: (2-fluorophenyl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2-fluorobenzyl) ester Formula: C20H21FN2O4 MolecularWeight: 372.390143

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=CC=C3F)[N+](=O)[O-]

InChI

InChI=1S/C20H21FN2O4/c21-17-8-4-3-7-16(17)14-27-20(24)15-9-10-18(19(13-15)23(25)26)22-11-5-1-2-6-12-22/h3-4,7-10,13H,1-2,5-6,11-12,14H2