[2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-methyl-3-phenyl-propyl]amino]-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-4-phenylbutan-2-yl]amino]ethyl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-keto-2-[[(1R)-1-methyl-3-phenyl-propyl]amino]ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)CCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC(=O)N[C@H](C)CCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O6/c1-3-28-19-12-11-17(13-18(19)23(26)27)21(25)29-14-20(24)22-15(2)9-10-16-7-5-4-6-8-16/h4-8,11-13,15H,3,9-10,14H2,1-2H3,(H,22,24)/t15-/m1/s1