1-[7-chloranyl-5-(2-fluorophenyl)-4-oxidanidyl-3H-1,4-benzodiazepin-4-ium-2-yl]-N-(4-methoxybutoxy)-1-nitro-methanimine

Systemtic Name: 1-[7-chloranyl-5-(2-fluorophenyl)-4-oxidanidyl-3H-1,4-benzodiazepin-4-ium-2-yl]-N-(4-methoxybutoxy)-1-nitro-methanimine Openeye Name: 1-[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]-N-(4-methoxybutoxy)-1-nitro-methanimine CAS Name: 1-[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]-N-(4-methoxybutoxy)-1-nitromethanimine IUPAC Name: 1-[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]-N-(4-methoxybutoxy)-1-nitromethanimine Traditional Name: (E)-[[7-chloro-5-(2-fluorophenyl)-4-oxido-3H-1,4-benzodiazepin-4-ium-2-yl]-nitro-methylene]-(4-methoxybutoxy)amine Formula: C21H20ClFN4O5 MolecularWeight: 462.858703

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Descriptors Computed from Structure

Canonical SMILES:

COCCCCON=C(C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3F)[N+](=O)[O-]

Isomeric SMILES

COCCCCO/N=C(\C1=NC2=C(C=C(C=C2)Cl)C(=[N+](C1)[O-])C3=CC=CC=C3F)/[N+](=O)[O-]

InChI

InChI=1S/C21H20ClFN4O5/c1-31-10-4-5-11-32-25-21(27(29)30)19-13-26(28)20(15-6-2-3-7-17(15)23)16-12-14(22)8-9-18(16)24-19/h2-3,6-9,12H,4-5,10-11,13H2,1H3/b25-21+