methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]oxy-benzoate

Systemtic Name: methyl 3-nitro-4-[(2S)-1-oxidanylidene-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]oxy-benzoate Openeye Name: methyl 4-[(1S)-1-methyl-2-oxo-2-[[(2S)-2-phenylbutyl]amino]ethoxy]-3-nitro-benzoate CAS Name: 3-nitro-4-[(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]oxybenzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[(2S)-1-oxo-1-[[(2S)-2-phenylbutyl]amino]propan-2-yl]oxybenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-[[(2S)-2-phenylbutyl]amino]ethoxy]-3-nitro-benzoic acid methyl ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C)OC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])C2=CC=CC=C2

Isomeric SMILES

CC[C@H](CNC(=O)[C@H](C)OC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C21H24N2O6/c1-4-15(16-8-6-5-7-9-16)13-22-20(24)14(2)29-19-11-10-17(21(25)28-3)12-18(19)23(26)27/h5-12,14-15H,4,13H2,1-3H3,(H,22,24)/t14-,15+/m0/s1