3-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride

Systemtic Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-7-chloranyl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride Openeye Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride CAS Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride IUPAC Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride Traditional Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-7-chloro-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one chloride Formula: C21H18BrCl2N5O3 MolecularWeight: 539.20932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(N1CCBr)[N+](=O)[O-])C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CC1=[N+](C=C(N1CCBr)[N+](=O)[O-])C2C(=O)NC3=C(C=C(C=C3)Cl)C(=N2)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C21H17BrClN5O3.ClH/c1-13-26(10-9-22)18(28(30)31)12-27(13)20-21(29)24-17-8-7-15(23)11-16(17)19(25-20)14-5-3-2-4-6-14;/h2-8,11-12,20H,9-10H2,1H3;1H