[(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(phenethylamino)propan-2-yl] 5-ethoxy-4-methoxy-2-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(phenethylamino)ethyl] 5-ethoxy-4-methoxy-2-nitro-benzoate CAS Name: 5-ethoxy-4-methoxy-2-nitrobenzoic acid [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(phenethylamino)propan-2-yl] 5-ethoxy-4-methoxy-2-nitrobenzoate Traditional Name: 5-ethoxy-4-methoxy-2-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(phenethylamino)ethyl] ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C(=O)OC(C)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C(=O)O[C@H](C)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H24N2O7/c1-4-29-19-12-16(17(23(26)27)13-18(19)28-3)21(25)30-14(2)20(24)22-11-10-15-8-6-5-7-9-15/h5-9,12-14H,4,10-11H2,1-3H3,(H,22,24)/t14-/m1/s1