[7-chloranyl-5-(2-fluorophenyl)-4-oxidanidyl-3H-1,4-benzodiazepin-4-ium-2-yl] carbamimidate

Systemtic Name: [7-chloranyl-5-(2-fluorophenyl)-4-oxidanidyl-3H-1,4-benzodiazepin-4-ium-2-yl] carbamimidate Openeye Name: 2-[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]isourea CAS Name: carbamimidic acid [7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl] ester IUPAC Name: [7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl] carbamimidate Traditional Name: 2-[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]isourea Formula: C16H12ClFN4O2 MolecularWeight: 346.743483

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3F)OC(=N)N

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)Cl)C(=[N+]1[O-])C3=CC=CC=C3F)OC(=N)N

InChI

InChI=1S/C16H12ClFN4O2/c17-9-5-6-13-11(7-9)15(10-3-1-2-4-12(10)18)22(23)8-14(21-13)24-16(19)20/h1-7H,8H2,(H3,19,20)