4-nitro-2-[[(1R)-1-phenylbutyl]iminomethyl]phenolate

Systemtic Name: 4-nitro-2-[[(1R)-1-phenylbutyl]iminomethyl]phenolate Openeye Name: 4-nitro-2-[[(1R)-1-phenylbutyl]iminomethyl]phenolate CAS Name: 4-nitro-2-[[(1R)-1-phenylbutyl]iminomethyl]phenolate IUPAC Name: 4-nitro-2-[[(1R)-1-phenylbutyl]iminomethyl]phenolate Traditional Name: 4-nitro-2-[[(1R)-1-phenylbutyl]iminomethyl]phenolate Formula: C17H17N2O3- MolecularWeight: 297.32848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-2-6-16(13-7-4-3-5-8-13)18-12-14-11-15(19(21)22)9-10-17(14)20/h3-5,7-12,16,20H,2,6H2,1H3/p-1/t16-/m1/s1