[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzoate

Systemtic Name: [2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitro-benzoate Openeye Name: [2-(2-furylmethylamino)-2-oxo-ethyl] 4-[(3R,5R)-3,5-dimethyl-1-piperidyl]-3-nitro-benzoate CAS Name: 4-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-3-nitrobenzoic acid [2-(2-furanylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(furan-2-ylmethylamino)-2-oxoethyl] 4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-3-nitrobenzoate Traditional Name: 4-[(3R,5R)-3,5-dimethylpiperidino]-3-nitro-benzoic acid [2-(2-furfurylamino)-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3)[N+](=O)[O-])C

Isomeric SMILES

C[C@@H]1C[C@H](CN(C1)C2=C(C=C(C=C2)C(=O)OCC(=O)NCC3=CC=CO3)[N+](=O)[O-])C

InChI

InChI=1S/C21H25N3O6/c1-14-8-15(2)12-23(11-14)18-6-5-16(9-19(18)24(27)28)21(26)30-13-20(25)22-10-17-4-3-7-29-17/h3-7,9,14-15H,8,10-13H2,1-2H3,(H,22,25)/t14-,15-/m1/s1