1-(3-chloranyl-4-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Openeye Name: 1-(3-chloro-4-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid CAS Name: 1-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid IUPAC Name: 1-(3-chloro-4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Traditional Name: 1-(3-chloro-4-methoxy-phenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole-3-carboxylic acid Formula: C16H17ClN2O3 MolecularWeight: 320.77078

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2C3=C(CCCCC3)C(=N2)C(=O)O)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2C3=C(CCCCC3)C(=N2)C(=O)O)Cl

InChI

InChI=1S/C16H17ClN2O3/c1-22-14-8-7-10(9-12(14)17)19-13-6-4-2-3-5-11(13)15(18-19)16(20)21/h7-9H,2-6H2,1H3,(H,20,21)