4-tert-butyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2,5-dione

Systemtic Name: 4-tert-butyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2,5-dione Openeye Name: 4-tert-butyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2,5-dione CAS Name: 4-tert-butyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2,5-dione IUPAC Name: 4-tert-butyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2,5-dione Traditional Name: 4-tert-butyl-7-nitro-1,3-dihydro-1,4-benzodiazepine-2,5-quinone Formula: C13H15N3O4 MolecularWeight: 277.2759

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CC(=O)NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)N1CC(=O)NC2=C(C1=O)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O4/c1-13(2,3)15-7-11(17)14-10-5-4-8(16(19)20)6-9(10)12(15)18/h4-6H,7H2,1-3H3,(H,14,17)