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

Systemtic Name: propan-2-yl (2E)-2-[7-chloranyl-5-(2-fluorophenyl)-4-oxidanyl-3H-1,4-benzodiazepin-2-ylidene]-2-nitroso-ethanoate Openeye Name: isopropyl (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 propan-2-yl ester IUPAC Name: propan-2-yl (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 isopropyl ester Formula: C20H17ClFN3O4 MolecularWeight: 417.818083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17ClFN3O4/c1-11(2)29-20(26)18(24-27)17-10-25(28)19(13-5-3-4-6-15(13)22)14-9-12(21)7-8-16(14)23-17/h3-9,11,28H,10H2,1-2H3/b18-17+