[2-oxidanylidene-1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-3-yl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-3-yl] 4-nitrobenzoate Openeye Name: [2-oxo-1-[4-(1-piperidyl)but-2-ynyl]pyrrolidin-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-1-[4-(1-piperidinyl)but-2-ynyl]-3-pyrrolidinyl] ester IUPAC Name: [2-oxo-1-(4-piperidin-1-ylbut-2-ynyl)pyrrolidin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-1-(4-piperidinobut-2-ynyl)pyrrolidin-3-yl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC#CCN2CCC(C2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC#CCN2CCC(C2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c24-19-18(28-20(25)16-6-8-17(9-7-16)23(26)27)10-15-22(19)14-5-4-13-21-11-2-1-3-12-21/h6-9,18H,1-3,10-15H2