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

Systemtic Name: [[5-(2-fluorophenyl)-7-nitro-3-oxidanyl-3H-1,4-benzodiazepin-2-yl]amino] N-phenylcarbamate Openeye Name: [[5-(2-fluorophenyl)-3-hydroxy-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-phenylcarbamate CAS Name: N-phenylcarbamic acid [[5-(2-fluorophenyl)-3-hydroxy-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] ester IUPAC Name: [[5-(2-fluorophenyl)-3-hydroxy-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-phenylcarbamate Traditional Name: N-phenylcarbamic acid [[5-(2-fluorophenyl)-3-hydroxy-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C22H16FN5O5 MolecularWeight: 449.391343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)ONC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2O)C4=CC=CC=C4F

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)ONC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2O)C4=CC=CC=C4F

InChI

InChI=1S/C22H16FN5O5/c23-17-9-5-4-8-15(17)19-16-12-14(28(31)32)10-11-18(16)25-20(21(29)26-19)27-33-22(30)24-13-6-2-1-3-7-13/h1-12,21,29H,(H,24,30)(H,25,27)