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

Systemtic Name: 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-[(1,5-dimethyl-4-pyrazolyl)methylamino]-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-keto-ethyl]pyrazole-3-carboxylate Formula: C12H14N5O3- MolecularWeight: 276.27126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N5O3/c1-8-9(6-14-16(8)2)5-13-11(18)7-17-4-3-10(15-17)12(19)20/h3-4,6H,5,7H2,1-2H3,(H,13,18)(H,19,20)/p-1