1-[3-oxidanylidene-3-(2-pyrazol-1-ylethylamino)propyl]pyrazole-4-carboxylate

Systemtic Name: 1-[3-oxidanylidene-3-(2-pyrazol-1-ylethylamino)propyl]pyrazole-4-carboxylate Openeye Name: 1-[3-oxo-3-(2-pyrazol-1-ylethylamino)propyl]pyrazole-4-carboxylate CAS Name: 1-[3-oxo-3-[2-(1-pyrazolyl)ethylamino]propyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-oxo-3-(2-pyrazol-1-ylethylamino)propyl]pyrazole-4-carboxylate Traditional Name: 1-[3-keto-3-(2-pyrazol-1-ylethylamino)propyl]pyrazole-4-carboxylate Formula: C12H14N5O3- MolecularWeight: 276.27126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)CCNC(=O)CCN2C=C(C=N2)C(=O)[O-]

Isomeric SMILES

C1=CN(N=C1)CCNC(=O)CCN2C=C(C=N2)C(=O)[O-]

InChI

InChI=1S/C12H15N5O3/c18-11(13-4-7-16-5-1-3-14-16)2-6-17-9-10(8-15-17)12(19)20/h1,3,5,8-9H,2,4,6-7H2,(H,13,18)(H,19,20)/p-1