2-(1-adamantyliminomethyl)-6-methoxy-4-nitro-phenolate

Systemtic Name: 2-(1-adamantyliminomethyl)-6-methoxy-4-nitro-phenolate Openeye Name: 2-(1-adamantyliminomethyl)-6-methoxy-4-nitro-phenolate CAS Name: 2-(1-adamantyliminomethyl)-6-methoxy-4-nitrophenolate IUPAC Name: 2-(1-adamantyliminomethyl)-6-methoxy-4-nitrophenolate Traditional Name: 2-(1-adamantyliminomethyl)-6-methoxy-4-nitro-phenolate Formula: C18H21N2O4- MolecularWeight: 329.37034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC23CC4CC(C2)CC(C4)C3)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)[N+](=O)[O-])C=NC23CC4CC(C2)CC(C4)C3)[O-]

InChI

InChI=1S/C18H22N2O4/c1-24-16-6-15(20(22)23)5-14(17(16)21)10-19-18-7-11-2-12(8-18)4-13(3-11)9-18/h5-6,10-13,21H,2-4,7-9H2,1H3/p-1