[2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate

Systemtic Name: [2-[(3S)-3-methyl-2-oxidanylidene-1,3-dihydroindol-5-yl]-2-oxidanylidene-ethyl] 4-pyrazol-1-ylbenzoate Openeye Name: [2-[(3S)-3-methyl-2-oxo-indolin-5-yl]-2-oxo-ethyl] 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] ester IUPAC Name: [2-[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]-2-oxoethyl] 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid [2-keto-2-[(3S)-2-keto-3-methyl-indolin-5-yl]ethyl] ester Formula: C21H17N3O4 MolecularWeight: 375.37738

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)NC1=O

Isomeric SMILES

C[C@H]1C2=C(C=CC(=C2)C(=O)COC(=O)C3=CC=C(C=C3)N4C=CC=N4)NC1=O

InChI

InChI=1S/C21H17N3O4/c1-13-17-11-15(5-8-18(17)23-20(13)26)19(25)12-28-21(27)14-3-6-16(7-4-14)24-10-2-9-22-24/h2-11,13H,12H2,1H3,(H,23,26)/t13-/m0/s1