(2-bromophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (2-bromophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (2-bromophenyl)methyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (2-bromophenyl)methyl ester IUPAC Name: (2-bromophenyl)methyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-bromobenzyl) ester Formula: C16H15BrN2O5 MolecularWeight: 395.2047

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Br

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO)Br

InChI

InChI=1S/C16H15BrN2O5/c17-14-4-2-1-3-11(14)10-24-16(21)13-9-12(19(22)23)5-6-15(13)18-7-8-20/h1-6,9,18,20H,7-8,10H2