ethyl 4-nitro-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 4-nitro-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrazole-3-carboxylate Openeye Name: ethyl 4-nitro-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrazole-3-carboxylate CAS Name: 4-nitro-1-[4-(1-pyrrolidinyl)but-2-ynyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-nitro-1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrazole-3-carboxylate Traditional Name: 4-nitro-1-(4-pyrrolidinobut-2-ynyl)pyrazole-3-carboxylic acid ethyl ester Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C=C1[N+](=O)[O-])CC#CCN2CCCC2

Isomeric SMILES

CCOC(=O)C1=NN(C=C1[N+](=O)[O-])CC#CCN2CCCC2

InChI

InChI=1S/C14H18N4O4/c1-2-22-14(19)13-12(18(20)21)11-17(15-13)10-6-5-9-16-7-3-4-8-16/h11H,2-4,7-10H2,1H3