5-(2-fluoranyl-3-oxidanyl-phenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one

Systemtic Name: 5-(2-fluoranyl-3-oxidanyl-phenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one Openeye Name: 5-(2-fluoro-3-hydroxy-phenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one CAS Name: 5-(2-fluoro-3-hydroxyphenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one IUPAC Name: 5-(2-fluoro-3-hydroxyphenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one Traditional Name: 5-(2-fluoro-3-hydroxy-phenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one Formula: C16H12FN3O4 MolecularWeight: 329.282583

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=C(C(=CC=C3)O)F

Isomeric SMILES

CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=C(C(=CC=C3)O)F

InChI

InChI=1S/C16H12FN3O4/c1-19-12-6-5-9(20(23)24)7-11(12)16(18-8-14(19)22)10-3-2-4-13(21)15(10)17/h2-7,21H,8H2,1H3