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

Systemtic Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-7-chloranyl-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Openeye Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one CAS Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one IUPAC Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Traditional Name: 3-[3-(2-bromoethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]-7-chloro-1-methyl-5-phenyl-3H-1,4-benzodiazepin-2-one Formula: C22H20BrClN5O3+ MolecularWeight: 517.7829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20BrClN5O3/c1-14-27(11-10-23)19(29(31)32)13-28(14)21-22(30)26(2)18-9-8-16(24)12-17(18)20(25-21)15-6-4-3-5-7-15/h3-9,12-13,21H,10-11H2,1-2H3/q+1