1-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[2-oxidanylidene-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-oxo-2-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]ethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-keto-2-[(1,3,5-trimethylpyrazol-4-yl)methylamino]ethyl]pyrazole-3-carboxylate Formula: C13H16N5O3- MolecularWeight: 290.29784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=O)CN2C=CC(=N2)C(=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=O)CN2C=CC(=N2)C(=O)[O-]

InChI

InChI=1S/C13H17N5O3/c1-8-10(9(2)17(3)15-8)6-14-12(19)7-18-5-4-11(16-18)13(20)21/h4-5H,6-7H2,1-3H3,(H,14,19)(H,20,21)/p-1