1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxidanylidene-ethyl]pyrazole-4-carboxylic acid Openeye Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[2-[[(1R,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]pyrazole-4-carboxylic acid Traditional Name: 1-[2-keto-2-[[(1R,2S)-2-methylcyclohexyl]amino]ethyl]pyrazole-4-carboxylic acid Formula: C13H19N3O3 MolecularWeight: 265.30826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CN2C=C(C=N2)C(=O)O

Isomeric SMILES

C[C@H]1CCCC[C@H]1NC(=O)CN2C=C(C=N2)C(=O)O

InChI

InChI=1S/C13H19N3O3/c1-9-4-2-3-5-11(9)15-12(17)8-16-7-10(6-14-16)13(18)19/h6-7,9,11H,2-5,8H2,1H3,(H,15,17)(H,18,19)/t9-,11+/m0/s1