2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]iminomethyl]-4-nitro-phenolate Formula: C17H15N2O5- MolecularWeight: 327.3114

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N=CC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5/c1-24-17(21)15(9-12-5-3-2-4-6-12)18-11-13-10-14(19(22)23)7-8-16(13)20/h2-8,10-11,15,20H,9H2,1H3/p-1/t15-/m0/s1