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

Systemtic Name: [(7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(3-fluorophenyl)carbamate Openeye Name: [[7-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] N-(3-fluorophenyl)carbamate CAS Name: N-(3-fluorophenyl)carbamic acid [[7-nitro-5-(2-pyridinyl)-3H-1,4-benzodiazepin-2-yl]amino] ester IUPAC Name: [(7-nitro-5-pyridin-2-yl-3H-1,4-benzodiazepin-2-yl)amino] N-(3-fluorophenyl)carbamate Traditional Name: N-(3-fluorophenyl)carbamic acid [[7-nitro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C21H15FN6O4 MolecularWeight: 434.380003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=N3)NOC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=N3)NOC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C21H15FN6O4/c22-13-4-3-5-14(10-13)25-21(29)32-27-19-12-24-20(18-6-1-2-9-23-18)16-11-15(28(30)31)7-8-17(16)26-19/h1-11H,12H2,(H,25,29)(H,26,27)