ethyl 2-[4-(diethylamino)but-2-ynyl]-4-nitro-pyrazole-3-carboxylate

Systemtic Name: ethyl 2-[4-(diethylamino)but-2-ynyl]-4-nitro-pyrazole-3-carboxylate Openeye Name: ethyl 2-[4-(diethylamino)but-2-ynyl]-4-nitro-pyrazole-3-carboxylate CAS Name: 2-[4-(diethylamino)but-2-ynyl]-4-nitro-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(diethylamino)but-2-ynyl]-4-nitropyrazole-3-carboxylate Traditional Name: 2-[4-(diethylamino)but-2-ynyl]-4-nitro-pyrazole-3-carboxylic acid ethyl ester Formula: C14H20N4O4 MolecularWeight: 308.333

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCN(CC)CC#CCN1C(=C(C=N1)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C14H20N4O4/c1-4-16(5-2)9-7-8-10-17-13(14(19)22-6-3)12(11-15-17)18(20)21/h11H,4-6,9-10H2,1-3H3