2-(3-chloranyl-4-cyano-phenyl)-3-cyclopentyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-7-carboxylic acid

Systemtic Name: 2-(3-chloranyl-4-cyano-phenyl)-3-cyclopentyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-7-carboxylic acid Openeye Name: 2-(3-chloro-4-cyano-phenyl)-3-cyclopentyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-7-carboxylic acid CAS Name: 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3a,4-dihydro-3H-[1]benzopyrano[4,3-c]pyrazole-7-carboxylic acid IUPAC Name: 2-(3-chloro-4-cyanophenyl)-3-cyclopentyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-7-carboxylic acid Traditional Name: 2-(3-chloro-4-cyano-phenyl)-3-cyclopentyl-3a,4-dihydro-3H-chromeno[4,3-c]pyrazole-7-carboxylic acid Formula: C23H20ClN3O3 MolecularWeight: 421.8762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)C2C3COC4=C(C3=NN2C5=CC(=C(C=C5)C#N)Cl)C=CC(=C4)C(=O)O

Isomeric SMILES

C1CCC(C1)C2C3COC4=C(C3=NN2C5=CC(=C(C=C5)C#N)Cl)C=CC(=C4)C(=O)O

InChI

InChI=1S/C23H20ClN3O3/c24-19-10-16(7-5-15(19)11-25)27-22(13-3-1-2-4-13)18-12-30-20-9-14(23(28)29)6-8-17(20)21(18)26-27/h5-10,13,18,22H,1-4,12H2,(H,28,29)