[(1R)-1-phenylethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: [(1R)-1-phenylethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: [(1R)-1-phenylethyl] 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid [(1R)-1-phenylethyl] ester IUPAC Name: [(1R)-1-phenylethyl] 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid [(1R)-1-phenylethyl] ester Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5/c1-13(14-6-4-3-5-7-14)25-18(21)15-8-9-16(19-10-11-24-2)17(12-15)20(22)23/h3-9,12-13,19H,10-11H2,1-2H3/t13-/m1/s1