3-azanyl-5-(2-fluorophenyl)-9-methyl-1-[2-(2-nitrophenyl)-2-oxidanylidene-ethyl]-3H-1,4-benzodiazepin-2-one hydrobromide

Systemtic Name: 3-azanyl-5-(2-fluorophenyl)-9-methyl-1-[2-(2-nitrophenyl)-2-oxidanylidene-ethyl]-3H-1,4-benzodiazepin-2-one hydrobromide Openeye Name: 3-amino-5-(2-fluorophenyl)-9-methyl-1-[2-(2-nitrophenyl)-2-oxo-ethyl]-3H-1,4-benzodiazepin-2-one hydrobromide CAS Name: 3-amino-5-(2-fluorophenyl)-9-methyl-1-[2-(2-nitrophenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one hydrobromide IUPAC Name: 3-amino-5-(2-fluorophenyl)-9-methyl-1-[2-(2-nitrophenyl)-2-oxoethyl]-3H-1,4-benzodiazepin-2-one hydrobromide Traditional Name: 3-amino-5-(2-fluorophenyl)-1-[2-keto-2-(2-nitrophenyl)ethyl]-9-methyl-3H-1,4-benzodiazepin-2-one hydrobromide Formula: C24H20BrFN4O4 MolecularWeight: 527.342403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)N)CC(=O)C4=CC=CC=C4[N+](=O)[O-].Br

Isomeric SMILES

CC1=CC=CC2=C1N(C(=O)C(N=C2C3=CC=CC=C3F)N)CC(=O)C4=CC=CC=C4[N+](=O)[O-].Br

InChI

InChI=1S/C24H19FN4O4.BrH/c1-14-7-6-10-17-21(15-8-2-4-11-18(15)25)27-23(26)24(31)28(22(14)17)13-20(30)16-9-3-5-12-19(16)29(32)33;/h2-12,23H,13,26H2,1H3;1H