1-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]pyrazole-3-carboxylate

Systemtic Name: 1-[2-(3-methylbutylamino)-2-oxidanylidene-ethyl]pyrazole-3-carboxylate Openeye Name: 1-[2-(isopentylamino)-2-oxo-ethyl]pyrazole-3-carboxylate CAS Name: 1-[2-(3-methylbutylamino)-2-oxoethyl]-3-pyrazolecarboxylate IUPAC Name: 1-[2-(3-methylbutylamino)-2-oxoethyl]pyrazole-3-carboxylate Traditional Name: 1-[2-(isoamylamino)-2-keto-ethyl]pyrazole-3-carboxylate Formula: C11H16N3O3- MolecularWeight: 238.26304

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CN1C=CC(=N1)C(=O)[O-]

Isomeric SMILES

CC(C)CCNC(=O)CN1C=CC(=N1)C(=O)[O-]

InChI

InChI=1S/C11H17N3O3/c1-8(2)3-5-12-10(15)7-14-6-4-9(13-14)11(16)17/h4,6,8H,3,5,7H2,1-2H3,(H,12,15)(H,16,17)/p-1