2,2-dimethylpropyl 5-(2-fluorophenyl)-7-nitro-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-3-carboxylate

Systemtic Name: 2,2-dimethylpropyl 5-(2-fluorophenyl)-7-nitro-2-oxidanylidene-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Openeye Name: 2,2-dimethylpropyl 5-(2-fluorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate CAS Name: 5-(2-fluorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 5-(2-fluorophenyl)-7-nitro-2-oxo-1,3-dihydro-1,4-benzodiazepine-3-carboxylate Traditional Name: 5-(2-fluorophenyl)-2-keto-7-nitro-1,3-dihydro-1,4-benzodiazepine-3-carboxylic acid neopentyl ester Formula: C21H20FN3O5 MolecularWeight: 413.399003

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)COC(=O)C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F

Isomeric SMILES

CC(C)(C)COC(=O)C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3F

InChI

InChI=1S/C21H20FN3O5/c1-21(2,3)11-30-20(27)18-19(26)23-16-9-8-12(25(28)29)10-14(16)17(24-18)13-6-4-5-7-15(13)22/h4-10,18H,11H2,1-3H3,(H,23,26)