1-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[3-(3-methylbutylamino)-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 1-[3-(isopentylamino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 1-[3-(3-methylbutylamino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[3-(3-methylbutylamino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 1-[3-(isoamylamino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C12H19N3O3 MolecularWeight: 253.29756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)CCN1C=CC(=N1)C(=O)O

Isomeric SMILES

CC(C)CCNC(=O)CCN1C=CC(=N1)C(=O)O

InChI

InChI=1S/C12H19N3O3/c1-9(2)3-6-13-11(16)5-8-15-7-4-10(14-15)12(17)18/h4,7,9H,3,5-6,8H2,1-2H3,(H,13,16)(H,17,18)