4-bromanyl-2-[[(5S,7R)-3-methyl-1-adamantyl]methyliminomethyl]-6-nitro-phenolate

Systemtic Name: 4-bromanyl-2-[[(5S,7R)-3-methyl-1-adamantyl]methyliminomethyl]-6-nitro-phenolate Openeye Name: 4-bromo-2-[[(5S,7R)-3-methyl-1-adamantyl]methyliminomethyl]-6-nitro-phenolate CAS Name: 4-bromo-2-[[(5S,7R)-3-methyl-1-adamantyl]methyliminomethyl]-6-nitrophenolate IUPAC Name: 4-bromo-2-[[(5S,7R)-3-methyl-1-adamantyl]methyliminomethyl]-6-nitrophenolate Traditional Name: 4-bromo-2-[[(5S,7R)-3-methyl-1-adamantyl]methyliminomethyl]-6-nitro-phenolate Formula: C19H22BrN2O3- MolecularWeight: 406.29358

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC3CC(C1)CC(C3)(C2)CN=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC12C[C@H]3C[C@@H](C1)CC(C3)(C2)CN=CC4=CC(=CC(=C4[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C19H23BrN2O3/c1-18-5-12-2-13(6-18)8-19(7-12,10-18)11-21-9-14-3-15(20)4-16(17(14)23)22(24)25/h3-4,9,12-13,23H,2,5-8,10-11H2,1H3/p-1/t12-,13+,18?,19?