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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC#CCC1(CCN(C1=O)N2CCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC#CCC1(CCN(C1=O)N2CCCC2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5/c1-2-3-10-19(11-14-21(18(19)24)20-12-4-5-13-20)27-17(23)15-6-8-16(9-7-15)22(25)26/h6-9H,4-5,10-14H2,1H3