3,3-dimethyl-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]butanoic acid

Systemtic Name: 3,3-dimethyl-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]butanoic acid Openeye Name: 3,3-dimethyl-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butanoic acid CAS Name: 3,3-dimethyl-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butanoic acid IUPAC Name: 3,3-dimethyl-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butanoic acid Traditional Name: 2-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methylamino]-3,3-dimethyl-butyric acid Formula: C15H18N4O6 MolecularWeight: 350.32662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)O)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(C(=O)O)NCC1=CC(=CC2=C1NC(=O)C(=O)N2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6/c1-15(2,3)11(14(22)23)16-6-7-4-8(19(24)25)5-9-10(7)18-13(21)12(20)17-9/h4-5,11,16H,6H2,1-3H3,(H,17,20)(H,18,21)(H,22,23)