(4-bromophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: (4-bromophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: (4-bromophenyl)methyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid (4-bromophenyl)methyl ester IUPAC Name: (4-bromophenyl)methyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid (4-bromobenzyl) ester Formula: C17H17BrN2O5 MolecularWeight: 409.23128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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