3-(dihydroxyboranyl)-5-nitro-1-(phenylmethyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 3-(dihydroxyboranyl)-5-nitro-1-(phenylmethyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1-benzyl-3-borono-5-nitro-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 3-borono-5-nitro-1-(phenylmethyl)-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1-benzyl-3-borono-5-nitrocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1-benzyl-3-borono-5-nitro-cyclohexa-2,4-diene-1-carboxylic acid Formula: C14H14BNO6 MolecularWeight: 303.07506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

B(C1=CC(CC(=C1)[N+](=O)[O-])(CC2=CC=CC=C2)C(=O)O)(O)O

Isomeric SMILES

B(C1=CC(CC(=C1)[N+](=O)[O-])(CC2=CC=CC=C2)C(=O)O)(O)O

InChI

InChI=1S/C14H14BNO6/c17-13(18)14(7-10-4-2-1-3-5-10)8-11(15(19)20)6-12(9-14)16(21)22/h1-6,8,19-20H,7,9H2,(H,17,18)