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

Systemtic Name: tert-butyl (2Z)-2-[7-chloranyl-5-(2-fluorophenyl)-4-oxidanyl-3H-1,4-benzodiazepin-2-ylidene]ethanoate Openeye Name: tert-butyl (2Z)-2-[7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-ylidene]acetate CAS Name: (2Z)-2-[7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-ylidene]acetic acid tert-butyl ester IUPAC Name: tert-butyl (2Z)-2-[7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-ylidene]acetate Traditional Name: (2Z)-2-[7-chloro-5-(2-fluorophenyl)-4-hydroxy-3H-1,4-benzodiazepin-2-ylidene]acetic acid tert-butyl ester Formula: C21H20ClFN2O3 MolecularWeight: 402.846503

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClFN2O3/c1-21(2,3)28-19(26)11-14-12-25(27)20(15-6-4-5-7-17(15)23)16-10-13(22)8-9-18(16)24-14/h4-11,27H,12H2,1-3H3/b14-11-