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

Systemtic Name: [(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate Openeye Name: [(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate CAS Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] ester IUPAC Name: [(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] N-[3-(trifluoromethyl)phenyl]carbamate Traditional Name: N-[3-(trifluoromethyl)phenyl]carbamic acid [(7-nitro-5-phenyl-3H-1,4-benzodiazepin-2-yl)amino] ester Formula: C23H16F3N5O4 MolecularWeight: 483.39945

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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=C3)NOC(=O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C23H16F3N5O4/c24-23(25,26)15-7-4-8-16(11-15)28-22(32)35-30-20-13-27-21(14-5-2-1-3-6-14)18-12-17(31(33)34)9-10-19(18)29-20/h1-12H,13H2,(H,28,32)(H,29,30)