7-bromanyl-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid

Systemtic Name: 7-bromanyl-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid Openeye Name: 4-benzyl-7-bromo-2,3-dihydroquinoxaline-1-carboxylic acid CAS Name: 7-bromo-4-(phenylmethyl)-2,3-dihydroquinoxaline-1-carboxylic acid IUPAC Name: 4-benzyl-7-bromo-2,3-dihydroquinoxaline-1-carboxylic acid Traditional Name: 4-benzyl-7-bromo-2,3-dihydroquinoxaline-1-carboxylic acid Formula: C16H15BrN2O2 MolecularWeight: 347.2065

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)Br)C(=O)O

Isomeric SMILES

C1CN(C2=C(N1CC3=CC=CC=C3)C=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C16H15BrN2O2/c17-13-6-7-14-15(10-13)19(16(20)21)9-8-18(14)11-12-4-2-1-3-5-12/h1-7,10H,8-9,11H2,(H,20,21)