(4E)-4-[4-(3-chlorophenyl)-1,2-dihydropyrazol-3-ylidene]pyrrole-2-carboxylic acid

Systemtic Name: (4E)-4-[4-(3-chlorophenyl)-1,2-dihydropyrazol-3-ylidene]pyrrole-2-carboxylic acid Openeye Name: (4E)-4-[4-(3-chlorophenyl)-1,2-dihydropyrazol-3-ylidene]pyrrole-2-carboxylic acid CAS Name: (4E)-4-[4-(3-chlorophenyl)-1,2-dihydropyrazol-3-ylidene]-2-pyrrolecarboxylic acid IUPAC Name: (4E)-4-[4-(3-chlorophenyl)-1,2-dihydropyrazol-3-ylidene]pyrrole-2-carboxylic acid Traditional Name: (4E)-4-[4-(3-chlorophenyl)-3-pyrazolin-3-ylidene]pyrrole-2-carboxylic acid Formula: C14H10ClN3O2 MolecularWeight: 287.7011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CNNC2=C3C=C(N=C3)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C\2=CNN/C2=C/3\C=C(N=C3)C(=O)O

InChI

InChI=1S/C14H10ClN3O2/c15-10-3-1-2-8(4-10)11-7-17-18-13(11)9-5-12(14(19)20)16-6-9/h1-7,17-18H,(H,19,20)/b13-9+