3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methanoyl-2-propyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-5-methanoyl-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-formyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-formyl-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-formyl-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-5-formyl-2-propyl-imidazole-4-carboxylic acid Formula: C16H15ClN2O5 MolecularWeight: 350.7537

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)C=O

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)C(=O)O)C=O

InChI

InChI=1S/C16H15ClN2O5/c1-2-3-14-18-11(7-20)15(16(21)22)19(14)6-9-4-12-13(5-10(9)17)24-8-23-12/h4-5,7H,2-3,6,8H2,1H3,(H,21,22)