4-[(Z)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[(2R,6R)-2,6-dimethyl-1-piperidyl]iminomethyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[(2R,6R)-2,6-dimethyl-1-piperidinyl]iminomethyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[(2R,6R)-2,6-dimethylpiperidin-1-yl]iminomethyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[(2R,6R)-2,6-dimethylpiperidino]iminomethyl]-2-nitro-phenolate Formula: C14H18N3O3- MolecularWeight: 276.31102

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1N=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1CCC[C@H](N1/N=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-])C

InChI

InChI=1S/C14H19N3O3/c1-10-4-3-5-11(2)16(10)15-9-12-6-7-14(18)13(8-12)17(19)20/h6-11,18H,3-5H2,1-2H3/p-1/b15-9-/t10-,11-/m1/s1