4-(1H-indol-3-yl)-2-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1H-indol-3-yl)-2-(3-methyl-5-oxidanylidene-1,4-dihydropyrazol-4-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(1H-indol-3-yl)-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4-oxo-butanoic acid CAS Name: 4-(1H-indol-3-yl)-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4-oxobutanoic acid IUPAC Name: 4-(1H-indol-3-yl)-2-(3-methyl-5-oxo-1,4-dihydropyrazol-4-yl)-4-oxobutanoic acid Traditional Name: 4-(1H-indol-3-yl)-4-keto-2-(3-keto-5-methyl-2-pyrazolin-4-yl)butyric acid Formula: C16H15N3O4 MolecularWeight: 313.308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(=O)C1C(CC(=O)C2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1=NNC(=O)C1C(CC(=O)C2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H15N3O4/c1-8-14(15(21)19-18-8)10(16(22)23)6-13(20)11-7-17-12-5-3-2-4-9(11)12/h2-5,7,10,14,17H,6H2,1H3,(H,19,21)(H,22,23)