2-[3-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid

Systemtic Name: 2-[3-[[4-chloranyl-2-(phenylcarbonyl)phenyl]amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(2-benzoyl-4-chloro-anilino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(2-benzoyl-4-chloroanilino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(2-benzoyl-4-chloroanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(2-benzoyl-4-chloro-anilino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C20H16ClN3O4 MolecularWeight: 397.81174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCN3C(=CC=N3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)NC(=O)CCN3C(=CC=N3)C(=O)O

InChI

InChI=1S/C20H16ClN3O4/c21-14-6-7-16(15(12-14)19(26)13-4-2-1-3-5-13)23-18(25)9-11-24-17(20(27)28)8-10-22-24/h1-8,10,12H,9,11H2,(H,23,25)(H,27,28)