[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 2-methyl-6-nitro-benzoate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 2-methyl-6-nitro-benzoate CAS Name: 2-methyl-6-nitrobenzoic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 2-methyl-6-nitrobenzoate Traditional Name: 2-methyl-6-nitro-benzoic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OCC(=O)N(CC2=CC=CO2)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H28N2O6/c1-16-4-2-6-21(27(30)31)23(16)24(29)33-15-22(28)26(14-20-5-3-7-32-20)25-11-17-8-18(12-25)10-19(9-17)13-25/h2-7,17-19H,8-15H2,1H3