2-(4-bromanylphenoxy)ethyl 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: 2-(4-bromanylphenoxy)ethyl 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: 2-(4-bromophenoxy)ethyl 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid 2-(4-bromophenoxy)ethyl ester IUPAC Name: 2-(4-bromophenoxy)ethyl 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid 2-(4-bromophenoxy)ethyl ester Formula: C21H23BrN2O5 MolecularWeight: 463.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCCOC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H23BrN2O5/c22-17-6-8-18(9-7-17)28-13-14-29-21(25)16-5-10-19(20(15-16)24(26)27)23-11-3-1-2-4-12-23/h5-10,15H,1-4,11-14H2