2-[[(1R)-1-(1-adamantyl)ethyl]iminomethyl]-6-bromanyl-4-nitro-phenolate

Systemtic Name: 2-[[(1R)-1-(1-adamantyl)ethyl]iminomethyl]-6-bromanyl-4-nitro-phenolate Openeye Name: 2-[[(1R)-1-(1-adamantyl)ethyl]iminomethyl]-6-bromo-4-nitro-phenolate CAS Name: 2-[[(1R)-1-(1-adamantyl)ethyl]iminomethyl]-6-bromo-4-nitrophenolate IUPAC Name: 2-[[(1R)-1-(1-adamantyl)ethyl]iminomethyl]-6-bromo-4-nitrophenolate Traditional Name: 2-[[(1R)-1-(1-adamantyl)ethyl]iminomethyl]-6-bromo-4-nitro-phenolate Formula: C19H22BrN2O3- MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C12CC3CC(C1)CC(C3)C2)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C12CC3CC(C1)CC(C3)C2)N=CC4=CC(=CC(=C4[O-])Br)[N+](=O)[O-]

InChI

InChI=1S/C19H23BrN2O3/c1-11(19-7-12-2-13(8-19)4-14(3-12)9-19)21-10-15-5-16(22(24)25)6-17(20)18(15)23/h5-6,10-14,23H,2-4,7-9H2,1H3/p-1/t11-,12?,13?,14?,19?/m1/s1