7-bromanyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one

Systemtic Name: 7-bromanyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one Openeye Name: 7-bromo-5-(1-oxidopyridin-1-ium-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one CAS Name: 7-bromo-5-(1-oxido-2-pyridin-1-iumyl)-1,3-dihydro-1,4-benzodiazepin-2-one IUPAC Name: 7-bromo-5-(1-oxidopyridin-1-ium-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one Traditional Name: 7-bromo-5-(1-oxidopyridin-1-ium-2-yl)-1,3-dihydro-1,4-benzodiazepin-2-one Formula: C14H10BrN3O2 MolecularWeight: 332.1521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=[N+]3[O-]

Isomeric SMILES

C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C14H10BrN3O2/c15-9-4-5-11-10(7-9)14(16-8-13(19)17-11)12-3-1-2-6-18(12)20/h1-7H,8H2,(H,17,19)