(4-bromophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (4-bromophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (4-bromophenyl)methyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (4-bromobenzyl) ester Formula: C20H21BrN2O4 MolecularWeight: 433.29574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C20H21BrN2O4/c21-17-8-5-15(6-9-17)14-27-20(24)16-7-10-18(19(13-16)23(25)26)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12,14H2