[2-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [2-[[(2R)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl] 4-methyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-benzyl-2-methoxy-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [2-[[(1R)-1-benzyl-2-keto-2-methoxy-ethyl]amino]-2-keto-ethyl] ester Formula: C20H20N2O7 MolecularWeight: 400.382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC(CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H](CC2=CC=CC=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O7/c1-13-8-9-15(11-17(13)22(26)27)19(24)29-12-18(23)21-16(20(25)28-2)10-14-6-4-3-5-7-14/h3-9,11,16H,10,12H2,1-2H3,(H,21,23)/t16-/m1/s1