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

Systemtic Name: [[5-(2-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-(3-fluorophenyl)carbamate Openeye Name: [[5-(2-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-(3-fluorophenyl)carbamate CAS Name: N-(3-fluorophenyl)carbamic acid [[5-(2-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] ester IUPAC Name: [[5-(2-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] N-(3-fluorophenyl)carbamate Traditional Name: N-(3-fluorophenyl)carbamic acid [[5-(2-chlorophenyl)-7-nitro-3H-1,4-benzodiazepin-2-yl]amino] ester Formula: C22H15ClFN5O4 MolecularWeight: 467.837003

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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=C3Cl)NOC(=O)NC4=CC(=CC=C4)F

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3Cl)NOC(=O)NC4=CC(=CC=C4)F

InChI

InChI=1S/C22H15ClFN5O4/c23-18-7-2-1-6-16(18)21-17-11-15(29(31)32)8-9-19(17)27-20(12-25-21)28-33-22(30)26-14-5-3-4-13(24)10-14/h1-11H,12H2,(H,26,30)(H,27,28)