tert-butyl (2E)-2-[7-chloranyl-5-(2-fluorophenyl)-4-oxidanyl-3H-1,4-benzodiazepin-2-ylidene]-2-nitroso-ethanoate

Systemtic Name: tert-butyl (2E)-2-[7-chloranyl-5-(2-fluorophenyl)-4-oxidanyl-3H-1,4-benzodiazepin-2-ylidene]-2-nitroso-ethanoate Openeye Name: tert-butyl (2E)-2-[7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-ylidene]-2-nitroso-acetate CAS Name: (2E)-2-[7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-ylidene]-2-nitrosoacetic acid tert-butyl ester IUPAC Name: tert-butyl (2E)-2-[7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-ylidene]-2-nitrosoacetate Traditional Name: (2E)-2-[7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-ylidene]-2-nitroso-acetic acid tert-butyl ester Formula: C21H19ClFN3O4 MolecularWeight: 431.844663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3F)O)N=O

Isomeric SMILES

CC(C)(C)OC(=O)/C(=C\1/CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3F)O)/N=O

InChI

InChI=1S/C21H19ClFN3O4/c1-21(2,3)30-20(27)18(25-28)17-11-26(29)19(13-6-4-5-7-15(13)23)14-10-12(22)8-9-16(14)24-17/h4-10,29H,11H2,1-3H3/b18-17+