[(1R)-1-phenylethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: [(1R)-1-phenylethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: [(1R)-1-phenylethyl] 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid [(1R)-1-phenylethyl] ester Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C1=CC=CC=C1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H18N2O5/c1-12(13-5-3-2-4-6-13)24-17(21)15-11-14(19(22)23)7-8-16(15)18-9-10-20/h2-8,11-12,18,20H,9-10H2,1H3/t12-/m1/s1