(3-bromophenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (3-bromophenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (3-bromophenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (3-bromobenzyl) ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)Br

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC(=CC=C2)Br

InChI

InChI=1S/C17H17BrN2O5/c1-24-8-7-19-16-6-5-14(20(22)23)10-15(16)17(21)25-11-12-3-2-4-13(18)9-12/h2-6,9-10,19H,7-8,11H2,1H3