2-(1-adamantylmethyliminomethyl)-4-nitro-phenolate

Systemtic Name: 2-(1-adamantylmethyliminomethyl)-4-nitro-phenolate Openeye Name: 2-(1-adamantylmethyliminomethyl)-4-nitro-phenolate CAS Name: 2-(1-adamantylmethyliminomethyl)-4-nitrophenolate IUPAC Name: 2-(1-adamantylmethyliminomethyl)-4-nitrophenolate Traditional Name: 2-(1-adamantylmethyliminomethyl)-4-nitro-phenolate Formula: C18H21N2O3- MolecularWeight: 313.37094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O3/c21-17-2-1-16(20(22)23)6-15(17)10-19-11-18-7-12-3-13(8-18)5-14(4-12)9-18/h1-2,6,10,12-14,21H,3-5,7-9,11H2/p-1