3-azanyl-4-(dihydroxyboranyl)-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 3-azanyl-4-(dihydroxyboranyl)-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 3-amino-4-borono-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 3-amino-4-borono-1-methyl-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 3-amino-4-borono-1-methylcyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 3-amino-4-borono-1-methyl-cyclohexa-2,4-diene-1-carboxylic acid Formula: C8H12BNO4 MolecularWeight: 196.99618

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Descriptors Computed from Structure

Canonical SMILES:

B(C1=CCC(C=C1N)(C)C(=O)O)(O)O

Isomeric SMILES

B(C1=CCC(C=C1N)(C)C(=O)O)(O)O

InChI

InChI=1S/C8H12BNO4/c1-8(7(11)12)3-2-5(9(13)14)6(10)4-8/h2,4,13-14H,3,10H2,1H3,(H,11,12)