[2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[1-adamantyl(2-furylmethyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-[1-adamantyl(2-furanylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1-adamantyl(furan-2-ylmethyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[1-adamantyl(2-furfuryl)amino]-2-keto-ethyl] ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=CC(=C(C=C5)N)[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)N(CC4=CC=CO4)C(=O)COC(=O)C5=CC(=C(C=C5)N)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O6/c25-20-4-3-18(9-21(20)27(30)31)23(29)33-14-22(28)26(13-19-2-1-5-32-19)24-10-15-6-16(11-24)8-17(7-15)12-24/h1-5,9,15-17H,6-8,10-14,25H2