3-(1H-benzimidazol-2-yl)-6-bromanyl-chromen-2-one hydrate

Systemtic Name: 3-(1H-benzimidazol-2-yl)-6-bromanyl-chromen-2-one hydrate Openeye Name: 3-(1H-benzimidazol-2-yl)-6-bromo-chromen-2-one hydrate CAS Name: 3-(1H-benzimidazol-2-yl)-6-bromo-1-benzopyran-2-one hydrate IUPAC Name: 3-(1H-benzimidazol-2-yl)-6-bromochromen-2-one hydrate Traditional Name: 3-(1H-benzimidazol-2-yl)-6-bromo-coumarin hydrate Formula: C16H11BrN2O3 MolecularWeight: 359.17414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O.O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC4=C(C=CC(=C4)Br)OC3=O.O

InChI

InChI=1S/C16H9BrN2O2.H2O/c17-10-5-6-14-9(7-10)8-11(16(20)21-14)15-18-12-3-1-2-4-13(12)19-15;/h1-8H,(H,18,19);1H2