1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid

Systemtic Name: 1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxidanylidene-propan-2-yl]pyrazole-4-carboxylic acid Openeye Name: 1-[(1S)-2-[(4-methoxyphenyl)methylamino]-1-methyl-2-oxo-ethyl]pyrazole-4-carboxylic acid CAS Name: 1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-4-pyrazolecarboxylic acid IUPAC Name: 1-[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid Traditional Name: 1-[(1S)-2-keto-1-methyl-2-(p-anisylamino)ethyl]pyrazole-4-carboxylic acid Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)OC)N2C=C(C=N2)C(=O)O

Isomeric SMILES

C[C@@H](C(=O)NCC1=CC=C(C=C1)OC)N2C=C(C=N2)C(=O)O

InChI

InChI=1S/C15H17N3O4/c1-10(18-9-12(8-17-18)15(20)21)14(19)16-7-11-3-5-13(22-2)6-4-11/h3-6,8-10H,7H2,1-2H3,(H,16,19)(H,20,21)/t10-/m0/s1