2-[1-[4-(furan-2-ylcarbonylamino)phenyl]carbonylpiperidin-2-yl]ethyl 3-nitrobenzoate

Systemtic Name: 2-[1-[4-(furan-2-ylcarbonylamino)phenyl]carbonylpiperidin-2-yl]ethyl 3-nitrobenzoate Openeye Name: 2-[1-[4-(furan-2-carbonylamino)benzoyl]-2-piperidyl]ethyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid 2-[1-[[4-[[2-furanyl(oxo)methyl]amino]phenyl]-oxomethyl]-2-piperidinyl]ethyl ester IUPAC Name: 2-[1-[4-(furan-2-carbonylamino)benzoyl]piperidin-2-yl]ethyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid 2-[1-[4-(2-furoylamino)benzoyl]-2-piperidyl]ethyl ester Formula: C26H25N3O7 MolecularWeight: 491.4926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

Isomeric SMILES

C1CCN(C(C1)CCOC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=C(C=C3)NC(=O)C4=CC=CO4

InChI

InChI=1S/C26H25N3O7/c30-24(23-8-4-15-35-23)27-20-11-9-18(10-12-20)25(31)28-14-2-1-6-21(28)13-16-36-26(32)19-5-3-7-22(17-19)29(33)34/h3-5,7-12,15,17,21H,1-2,6,13-14,16H2,(H,27,30)