(2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: (2-methoxy-2-oxidanylidene-1-phenyl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: (2-methoxy-2-oxo-1-phenyl-ethyl) 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid (2-methoxy-2-oxo-1-phenylethyl) ester IUPAC Name: (2-methoxy-2-oxo-1-phenylethyl) 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid (2-keto-2-methoxy-1-phenyl-ethyl) ester Formula: C18H18N2O7 MolecularWeight: 374.34472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O7/c1-26-18(23)16(12-5-3-2-4-6-12)27-17(22)14-11-13(20(24)25)7-8-15(14)19-9-10-21/h2-8,11,16,19,21H,9-10H2,1H3