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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CNC(=O)CN2C=C(C=N2)C(=O)[O-])C

Isomeric SMILES

CC1=NN(C=C1CNC(=O)CN2C=C(C=N2)C(=O)[O-])C

InChI

InChI=1S/C12H15N5O3/c1-8-9(5-16(2)15-8)3-13-11(18)7-17-6-10(4-14-17)12(19)20/h4-6H,3,7H2,1-2H3,(H,13,18)(H,19,20)/p-1