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

Systemtic Name: [1-[4-(dimethylamino)but-2-ynyl]-2-oxidanylidene-pyrrolidin-3-yl] 4-nitrobenzoate Openeye Name: [1-[4-(dimethylamino)but-2-ynyl]-2-oxo-pyrrolidin-3-yl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [1-[4-(dimethylamino)but-2-ynyl]-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-[4-(dimethylamino)but-2-ynyl]-2-oxopyrrolidin-3-yl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [1-[4-(dimethylamino)but-2-ynyl]-2-keto-pyrrolidin-3-yl] ester Formula: C17H19N3O5 MolecularWeight: 345.34986

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CCN1CCC(C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN(C)CC#CCN1CCC(C1=O)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O5/c1-18(2)10-3-4-11-19-12-9-15(16(19)21)25-17(22)13-5-7-14(8-6-13)20(23)24/h5-8,15H,9-12H2,1-2H3