4-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid

Systemtic Name: 4-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid Openeye Name: 4-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid CAS Name: 4-[5-(1-oxopropyl)-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl]benzoic acid IUPAC Name: 4-(5-propanoyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid Traditional Name: 4-(5-propionyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazol-3-yl)benzoic acid Formula: C15H15N3O3 MolecularWeight: 285.2979

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CC2=C(C1)NN=C2C3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCC(=O)N1CC2=C(C1)NN=C2C3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C15H15N3O3/c1-2-13(19)18-7-11-12(8-18)16-17-14(11)9-3-5-10(6-4-9)15(20)21/h3-6H,2,7-8H2,1H3,(H,16,17)(H,20,21)