4-chloranyl-2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]iminomethyl]-6-nitro-phenolate

Systemtic Name: 4-chloranyl-2-[[(2S)-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]iminomethyl]-6-nitro-phenolate Openeye Name: 2-[[(1S)-1-benzyl-2-methoxy-2-oxo-ethyl]iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 4-chloro-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]iminomethyl]-6-nitrophenolate IUPAC Name: 4-chloro-2-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]iminomethyl]-6-nitrophenolate Traditional Name: 2-[[(1S)-1-benzyl-2-keto-2-methoxy-ethyl]iminomethyl]-4-chloro-6-nitro-phenolate Formula: C17H14ClN2O5- MolecularWeight: 361.75646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN2O5/c1-25-17(22)14(7-11-5-3-2-4-6-11)19-10-12-8-13(18)9-15(16(12)21)20(23)24/h2-6,8-10,14,21H,7H2,1H3/p-1/t14-/m0/s1