N-[[1-(2-chlorophenyl)-8-fluoranyl-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamate

Systemtic Name: N-[[1-(2-chlorophenyl)-8-fluoranyl-2-oxidanylidene-3H-1,5-benzodiazepin-4-yl]amino]carbamate Openeye Name: N-[[1-(2-chlorophenyl)-8-fluoro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamate CAS Name: N-[[1-(2-chlorophenyl)-8-fluoro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamate IUPAC Name: N-[[1-(2-chlorophenyl)-8-fluoro-2-oxo-3H-1,5-benzodiazepin-4-yl]amino]carbamate Traditional Name: N-[[1-(2-chlorophenyl)-8-fluoro-2-keto-3H-1,5-benzodiazepin-4-yl]amino]carbamate Formula: C16H11ClFN4O3- MolecularWeight: 361.734943

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NC2=C(C=C(C=C2)F)N(C1=O)C3=CC=CC=C3Cl)NNC(=O)[O-]

Isomeric SMILES

C1C(=NC2=C(C=C(C=C2)F)N(C1=O)C3=CC=CC=C3Cl)NNC(=O)[O-]

InChI

InChI=1S/C16H12ClFN4O3/c17-10-3-1-2-4-12(10)22-13-7-9(18)5-6-11(13)19-14(8-15(22)23)20-21-16(24)25/h1-7,21H,8H2,(H,19,20)(H,24,25)/p-1