2-[5-(2-fluorophenyl)-7-nitro-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-2-methyl-butanoic acid

Systemtic Name: 2-[5-(2-fluorophenyl)-7-nitro-2-oxidanylidene-3H-1,4-benzodiazepin-1-yl]-2-methyl-butanoic acid Openeye Name: 2-[5-(2-fluorophenyl)-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]-2-methyl-butanoic acid CAS Name: 2-[5-(2-fluorophenyl)-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]-2-methylbutanoic acid IUPAC Name: 2-[5-(2-fluorophenyl)-7-nitro-2-oxo-3H-1,4-benzodiazepin-1-yl]-2-methylbutanoic acid Traditional Name: 2-[5-(2-fluorophenyl)-2-keto-7-nitro-3H-1,4-benzodiazepin-1-yl]-2-methyl-butyric acid Formula: C20H18FN3O5 MolecularWeight: 399.372423

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)N1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F

Isomeric SMILES

CCC(C)(C(=O)O)N1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3F

InChI

InChI=1S/C20H18FN3O5/c1-3-20(2,19(26)27)23-16-9-8-12(24(28)29)10-14(16)18(22-11-17(23)25)13-6-4-5-7-15(13)21/h4-10H,3,11H2,1-2H3,(H,26,27)