1-[(4-chloranyl-2-prop-1-ynyl-phenyl)methyl]indazole-3-carboxylic acid

Systemtic Name: 1-[(4-chloranyl-2-prop-1-ynyl-phenyl)methyl]indazole-3-carboxylic acid Openeye Name: 1-[(4-chloro-2-prop-1-ynyl-phenyl)methyl]indazole-3-carboxylic acid CAS Name: 1-[(4-chloro-2-prop-1-ynylphenyl)methyl]-3-indazolecarboxylic acid IUPAC Name: 1-[(4-chloro-2-prop-1-ynylphenyl)methyl]indazole-3-carboxylic acid Traditional Name: 1-(4-chloro-2-prop-1-ynyl-benzyl)indazole-3-carboxylic acid Formula: C18H13ClN2O2 MolecularWeight: 324.76102

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=CC(=C1)Cl)CN2C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC#CC1=C(C=CC(=C1)Cl)CN2C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C18H13ClN2O2/c1-2-5-12-10-14(19)9-8-13(12)11-21-16-7-4-3-6-15(16)17(20-21)18(22)23/h3-4,6-10H,11H2,1H3,(H,22,23)