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

Systemtic Name: 2-[3-[(3-chloranyl-2-methyl-phenyl)amino]-3-oxidanylidene-propyl]pyrazole-3-carboxylic acid Openeye Name: 2-[3-(3-chloro-2-methyl-anilino)-3-oxo-propyl]pyrazole-3-carboxylic acid CAS Name: 2-[3-(3-chloro-2-methylanilino)-3-oxopropyl]-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-(3-chloro-2-methylanilino)-3-oxopropyl]pyrazole-3-carboxylic acid Traditional Name: 2-[3-(3-chloro-2-methyl-anilino)-3-keto-propyl]pyrazole-3-carboxylic acid Formula: C14H14ClN3O3 MolecularWeight: 307.73226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CCN2C(=CC=N2)C(=O)O

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CCN2C(=CC=N2)C(=O)O

InChI

InChI=1S/C14H14ClN3O3/c1-9-10(15)3-2-4-11(9)17-13(19)6-8-18-12(14(20)21)5-7-16-18/h2-5,7H,6,8H2,1H3,(H,17,19)(H,20,21)