1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylic acid

Systemtic Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]pyrazole-3-carboxylic acid Openeye Name: 1-[2-[(2S)-2-methylindolin-1-yl]-2-oxo-ethyl]pyrazole-3-carboxylic acid CAS Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]-3-pyrazolecarboxylic acid IUPAC Name: 1-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid Traditional Name: 1-[2-keto-2-[(2S)-2-methylindolin-1-yl]ethyl]pyrazole-3-carboxylic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CN3C=CC(=N3)C(=O)O

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CN3C=CC(=N3)C(=O)O

InChI

InChI=1S/C15H15N3O3/c1-10-8-11-4-2-3-5-13(11)18(10)14(19)9-17-7-6-12(16-17)15(20)21/h2-7,10H,8-9H2,1H3,(H,20,21)/t10-/m0/s1