ethyl 1-[4-(diethylamino)but-2-ynyl]-4-nitro-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-[4-(diethylamino)but-2-ynyl]-4-nitro-pyrazole-3-carboxylate Openeye Name: ethyl 1-[4-(diethylamino)but-2-ynyl]-4-nitro-pyrazole-3-carboxylate CAS Name: 1-[4-(diethylamino)but-2-ynyl]-4-nitro-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(diethylamino)but-2-ynyl]-4-nitropyrazole-3-carboxylate Traditional Name: 1-[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)C(=O)OCC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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