methyl 3-nitro-4-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzoate

Systemtic Name: methyl 3-nitro-4-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzoate Openeye Name: methyl 3-nitro-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzoate CAS Name: 3-nitro-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethoxy]benzoate Traditional Name: 4-[2-keto-2-[[(1R)-1-phenylethyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)COC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6/c1-12(13-6-4-3-5-7-13)19-17(21)11-26-16-9-8-14(18(22)25-2)10-15(16)20(23)24/h3-10,12H,11H2,1-2H3,(H,19,21)/t12-/m1/s1