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

Systemtic Name: ethyl (2E)-2-[7-chloranyl-5-(2-fluorophenyl)-4-oxidanyl-3H-1,4-benzodiazepin-2-ylidene]-2-nitroso-ethanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C19H15ClFN3O4 MolecularWeight: 403.791503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15ClFN3O4/c1-2-28-19(25)17(23-26)16-10-24(27)18(12-5-3-4-6-14(12)21)13-9-11(20)7-8-15(13)22-16/h3-9,27H,2,10H2,1H3/b17-16+