1-adamantyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 1-adamantyl-[2-[(2-methoxy-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: 1-adamantyl-[2-(2-methoxy-4-nitro-anilino)-2-oxo-ethyl]ammonium CAS Name: 1-adamantyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]ammonium IUPAC Name: 1-adamantyl-[2-(2-methoxy-4-nitroanilino)-2-oxoethyl]azanium Traditional Name: 1-adamantyl-[2-keto-2-(2-methoxy-4-nitro-anilino)ethyl]ammonium Formula: C19H26N3O4+ MolecularWeight: 360.42744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C[NH2+]C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H25N3O4/c1-26-17-7-15(22(24)25)2-3-16(17)21-18(23)11-20-19-8-12-4-13(9-19)6-14(5-12)10-19/h2-3,7,12-14,20H,4-6,8-11H2,1H3,(H,21,23)/p+1