(phenylmethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (phenylmethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: benzyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid benzyl ester Formula: C16H16N2O5 MolecularWeight: 316.30864

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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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O5/c19-9-8-17-15-7-6-13(18(21)22)10-14(15)16(20)23-11-12-4-2-1-3-5-12/h1-7,10,17,19H,8-9,11H2