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

Systemtic Name: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[[(1R)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-keto-ethyl] ester Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CO1)NC(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O6/c1-14(18-6-5-11-28-18)21-19(24)13-29-20(25)15-7-8-16(17(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