2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]iminomethyl]-4-nitro-phenolate

Systemtic Name: 2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]iminomethyl]-4-nitro-phenolate Openeye Name: 2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]iminomethyl]-4-nitro-phenolate CAS Name: 2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]-4-nitrophenolate IUPAC Name: 2-[[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]iminomethyl]-4-nitrophenolate Traditional Name: 2-[[(1S)-1-(2-methoxy-5-methyl-phenyl)ethyl]iminomethyl]-4-nitro-phenolate Formula: C17H17N2O4- MolecularWeight: 313.32788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O4/c1-11-4-7-17(23-3)15(8-11)12(2)18-10-13-9-14(19(21)22)5-6-16(13)20/h4-10,12,20H,1-3H3/p-1/t12-/m0/s1