[(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2-methoxy-5-nitro-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2-methoxy-5-nitro-benzoate Openeye Name: [(1S)-1-methyl-2-oxo-2-[[(1R)-1-phenylbutyl]amino]ethyl] 2-methoxy-5-nitro-benzoate CAS Name: 2-methoxy-5-nitrobenzoic acid [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-[[(1R)-1-phenylbutyl]amino]propan-2-yl] 2-methoxy-5-nitrobenzoate Traditional Name: 2-methoxy-5-nitro-benzoic acid [(1S)-2-keto-1-methyl-2-[[(1R)-1-phenylbutyl]amino]ethyl] ester Formula: C21H24N2O6 MolecularWeight: 400.42506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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