[(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [(1R)-2-(2-furylmethylamino)-1-methyl-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [(2R)-1-(2-furanylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [(1R)-2-(2-furfurylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)OC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-14(19(24)21-13-16-6-5-11-28-16)29-20(25)15-7-8-17(18(12-15)23(26)27)22-9-3-2-4-10-22/h5-8,11-12,14H,2-4,9-10,13H2,1H3,(H,21,24)/t14-/m1/s1