7-chloranyl-5-(2-fluorophenyl)-4-oxidanidyl-1-prop-2-enyl-3H-1,4-benzodiazepin-4-ium-2-one

Systemtic Name: 7-chloranyl-5-(2-fluorophenyl)-4-oxidanidyl-1-prop-2-enyl-3H-1,4-benzodiazepin-4-ium-2-one Openeye Name: 1-allyl-7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-one CAS Name: 7-chloro-5-(2-fluorophenyl)-4-oxido-1-prop-2-enyl-3H-1,4-benzodiazepin-4-ium-2-one IUPAC Name: 7-chloro-5-(2-fluorophenyl)-4-oxido-1-prop-2-enyl-3H-1,4-benzodiazepin-4-ium-2-one Traditional Name: 1-allyl-7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-one Formula: C18H14ClFN2O2 MolecularWeight: 344.767363

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C[N+](=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F)[O-]

Isomeric SMILES

C=CCN1C(=O)C[N+](=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F)[O-]

InChI

InChI=1S/C18H14ClFN2O2/c1-2-9-21-16-8-7-12(19)10-14(16)18(22(24)11-17(21)23)13-5-3-4-6-15(13)20/h2-8,10H,1,9,11H2