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

Systemtic Name: 3-methyl-2-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]butanoic acid Openeye Name: 3-methyl-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butanoic acid CAS Name: 3-methyl-2-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methylamino]butanoic acid IUPAC Name: 3-methyl-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-methyl-butyric acid Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O6/c1-6(2)10(14(21)22)15-5-7-3-8(18(23)24)4-9-11(7)17-13(20)12(19)16-9/h3-4,6,10,15H,5H2,1-2H3,(H,16,19)(H,17,20)(H,21,22)