7-chloranyl-5-(2-iodanylphenyl)-1-methyl-2-oxidanylidene-4,5-dihydro-3H-1,2-benzodiazepin-2-ium-4-carboxamide

Systemtic Name: 7-chloranyl-5-(2-iodanylphenyl)-1-methyl-2-oxidanylidene-4,5-dihydro-3H-1,2-benzodiazepin-2-ium-4-carboxamide Openeye Name: 7-chloro-5-(2-iodophenyl)-1-methyl-2-oxo-4,5-dihydro-3H-1,2-benzodiazepin-2-ium-4-carboxamide CAS Name: 7-chloro-5-(2-iodophenyl)-1-methyl-2-oxo-4,5-dihydro-3H-1,2-benzodiazepin-2-ium-4-carboxamide IUPAC Name: 7-chloro-5-(2-iodophenyl)-1-methyl-2-oxo-4,5-dihydro-3H-1,2-benzodiazepin-2-ium-4-carboxamide Traditional Name: 7-chloro-5-(2-iodophenyl)-2-keto-1-methyl-4,5-dihydro-3H-1,2-benzodiazepin-2-ium-4-carboxamide Formula: C17H16ClIN3O2+ MolecularWeight: 456.68531

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)Cl)C(C(C[N+]1=O)C(=O)N)C3=CC=CC=C3I

Isomeric SMILES

CN1C2=C(C=C(C=C2)Cl)C(C(C[N+]1=O)C(=O)N)C3=CC=CC=C3I

InChI

InChI=1S/C17H15ClIN3O2/c1-21-15-7-6-10(18)8-12(15)16(11-4-2-3-5-14(11)19)13(17(20)23)9-22(21)24/h2-8,13,16H,9H2,1H3,(H-,20,23)/p+1