(1R,2S)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid

Systemtic Name: (1R,2S)-2-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid Openeye Name: (1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)carbamoyl]cyclopropanecarboxylic acid CAS Name: (1R,2S)-2-[[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)amino]-oxomethyl]-1-cyclopropanecarboxylic acid IUPAC Name: (1R,2S)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]cyclopropane-1-carboxylic acid Traditional Name: (1R,2S)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)carbamoyl]cyclopropanecarboxylic acid Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3CC3C(=O)O

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)[C@H]3C[C@H]3C(=O)O

InChI

InChI=1S/C16H17N3O4/c1-9-13(17-14(20)11-8-12(11)16(22)23)15(21)19(18(9)2)10-6-4-3-5-7-10/h3-7,11-12H,8H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+/m0/s1