1-[3-[(4-chlorophenyl)amino]-3-oxidanylidene-propyl]-3-phenylmethoxy-pyrazole-4-carboxylic acid

Systemtic Name: 1-[3-[(4-chlorophenyl)amino]-3-oxidanylidene-propyl]-3-phenylmethoxy-pyrazole-4-carboxylic acid Openeye Name: 3-benzyloxy-1-[3-(4-chloroanilino)-3-oxo-propyl]pyrazole-4-carboxylic acid CAS Name: 1-[3-(4-chloroanilino)-3-oxopropyl]-3-phenylmethoxy-4-pyrazolecarboxylic acid IUPAC Name: 1-[3-(4-chloroanilino)-3-oxopropyl]-3-phenylmethoxypyrazole-4-carboxylic acid Traditional Name: 3-benzoxy-1-[3-(4-chloroanilino)-3-keto-propyl]pyrazole-4-carboxylic acid Formula: C20H18ClN3O4 MolecularWeight: 399.82762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NN(C=C2C(=O)O)CCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=NN(C=C2C(=O)O)CCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O4/c21-15-6-8-16(9-7-15)22-18(25)10-11-24-12-17(20(26)27)19(23-24)28-13-14-4-2-1-3-5-14/h1-9,12H,10-11,13H2,(H,22,25)(H,26,27)