[[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-(3-bromophenyl)carbamate

Systemtic Name: [[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-(3-bromophenyl)carbamate Openeye Name: [[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-(3-bromophenyl)carbamate CAS Name: N-(3-bromophenyl)carbamic acid [[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] ester IUPAC Name: [[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-(3-bromophenyl)carbamate Traditional Name: N-(3-bromophenyl)carbamic acid [[5-(2-fluorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C22H15BrFN5O4 MolecularWeight: 512.288003

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F)NOC(=O)NC4=CC(=CC=C4)Br

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F)NOC(=O)NC4=CC(=CC=C4)Br

InChI

InChI=1S/C22H15BrFN5O4/c23-13-4-3-5-14(10-13)26-22(30)33-28-20-12-25-21(16-6-1-2-7-18(16)24)17-11-15(29(31)32)8-9-19(17)27-20/h1-11H,12H2,(H,26,30)(H,27,28)