5-[[(5-tert-butyl-1,2-oxazol-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione

Systemtic Name: 5-[[(5-tert-butyl-1,2-oxazol-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Openeye Name: 5-[[(5-tert-butylisoxazol-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione CAS Name: 5-[[(5-tert-butyl-3-isoxazolyl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione IUPAC Name: 5-[[(5-tert-butyl-1,2-oxazol-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-dione Traditional Name: 5-[[(5-tert-butylisoxazol-3-yl)amino]methyl]-7-nitro-1,4-dihydroquinoxaline-2,3-quinone Formula: C16H17N5O5 MolecularWeight: 359.33668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NO1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=NO1)NCC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-]

InChI

InChI=1S/C16H17N5O5/c1-16(2,3)11-6-12(20-26-11)17-7-8-4-9(21(24)25)5-10-13(8)19-15(23)14(22)18-10/h4-6H,7H2,1-3H3,(H,17,20)(H,18,22)(H,19,23)