1-[3-[2-(4-chloranylpyrazol-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylate

Systemtic Name: 1-[3-[2-(4-chloranylpyrazol-1-yl)ethylamino]-3-oxidanylidene-propyl]pyrazole-4-carboxylate Openeye Name: 1-[3-[2-(4-chloropyrazol-1-yl)ethylamino]-3-oxo-propyl]pyrazole-4-carboxylate CAS Name: 1-[3-[2-(4-chloro-1-pyrazolyl)ethylamino]-3-oxopropyl]-4-pyrazolecarboxylate IUPAC Name: 1-[3-[2-(4-chloropyrazol-1-yl)ethylamino]-3-oxopropyl]pyrazole-4-carboxylate Traditional Name: 1-[3-[2-(4-chloropyrazol-1-yl)ethylamino]-3-keto-propyl]pyrazole-4-carboxylate Formula: C12H13ClN5O3- MolecularWeight: 310.71632

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=NN1CCC(=O)NCCN2C=C(C=N2)Cl)C(=O)[O-]

Isomeric SMILES

C1=C(C=NN1CCC(=O)NCCN2C=C(C=N2)Cl)C(=O)[O-]

InChI

InChI=1S/C12H14ClN5O3/c13-10-6-16-18(8-10)4-2-14-11(19)1-3-17-7-9(5-15-17)12(20)21/h5-8H,1-4H2,(H,14,19)(H,20,21)/p-1