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

Systemtic Name: 2-(1-adamantyliminomethyl)-4-chloranyl-6-nitro-phenolate Openeye Name: 2-(1-adamantyliminomethyl)-4-chloro-6-nitro-phenolate CAS Name: 2-(1-adamantyliminomethyl)-4-chloro-6-nitrophenolate IUPAC Name: 2-(1-adamantyliminomethyl)-4-chloro-6-nitrophenolate Traditional Name: 2-(1-adamantyliminomethyl)-4-chloro-6-nitro-phenolate Formula: C17H18ClN2O3- MolecularWeight: 333.78942

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Cl

InChI

InChI=1S/C17H19ClN2O3/c18-14-4-13(16(21)15(5-14)20(22)23)9-19-17-6-10-1-11(7-17)3-12(2-10)8-17/h4-5,9-12,21H,1-3,6-8H2/p-1