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

Systemtic Name: [2-oxidanylidene-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-3-yl] 4-nitrobenzoate Openeye Name: [2-oxo-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-1-[4-(1-pyrrolidinyl)but-2-ynyl]-3-pyrrolidinyl] ester IUPAC Name: [2-oxo-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-keto-1-(4-pyrrolidinobut-2-ynyl)pyrrolidin-3-yl] ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC#CCN2CCC(C2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC#CCN2CCC(C2=O)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c23-18-17(27-19(24)15-5-7-16(8-6-15)22(25)26)9-14-21(18)13-4-3-12-20-10-1-2-11-20/h5-8,17H,1-2,9-14H2