4-nitro-2-[[(2S)-2-phenylbutyl]iminomethyl]phenolate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN=CC1=C(C=CC(=C1)[N+](=O)[O-])[O-])C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O3/c1-2-13(14-6-4-3-5-7-14)11-18-12-15-10-16(19(21)22)8-9-17(15)20/h3-10,12-13,20H,2,11H2,1H3/p-1/t13-/m1/s1