2-[[(1S)-1-(1-adamantyl)-2-methoxy-2-oxidanylidene-ethyl]iminomethyl]-6-bromanyl-4-nitro-phenolate

Systemtic Name: 2-[[(1S)-1-(1-adamantyl)-2-methoxy-2-oxidanylidene-ethyl]iminomethyl]-6-bromanyl-4-nitro-phenolate Openeye Name: 2-[[(1S)-1-(1-adamantyl)-2-methoxy-2-oxo-ethyl]iminomethyl]-6-bromo-4-nitro-phenolate CAS Name: 2-[[(1S)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]iminomethyl]-6-bromo-4-nitrophenolate IUPAC Name: 2-[[(1S)-1-(1-adamantyl)-2-methoxy-2-oxoethyl]iminomethyl]-6-bromo-4-nitrophenolate Traditional Name: 2-[[(1S)-1-(1-adamantyl)-2-keto-2-methoxy-ethyl]iminomethyl]-6-bromo-4-nitro-phenolate Formula: C20H22BrN2O5- MolecularWeight: 450.30308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN2O5/c1-28-19(25)18(20-7-11-2-12(8-20)4-13(3-11)9-20)22-10-14-5-15(23(26)27)6-16(21)17(14)24/h5-6,10-13,18,24H,2-4,7-9H2,1H3/p-1/t11?,12?,13?,18-,20?/m1/s1