3-(1-methyl-7-nitro-4-oxidanylidene-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoic acid

Systemtic Name: 3-(1-methyl-7-nitro-4-oxidanylidene-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoic acid Openeye Name: 3-(1-methyl-7-nitro-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoic acid CAS Name: 3-(1-methyl-7-nitro-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoic acid IUPAC Name: 3-(1-methyl-7-nitro-4-oxo-5H-imidazo[1,2-a]quinoxalin-2-yl)propanoic acid Traditional Name: 3-(4-keto-1-methyl-7-nitro-5H-imidazo[1,2-a]quinoxalin-2-yl)propionic acid Formula: C14H12N4O5 MolecularWeight: 316.26888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)CCC(=O)O

Isomeric SMILES

CC1=C(N=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])NC2=O)CCC(=O)O

InChI

InChI=1S/C14H12N4O5/c1-7-9(3-5-12(19)20)15-13-14(21)16-10-6-8(18(22)23)2-4-11(10)17(7)13/h2,4,6H,3,5H2,1H3,(H,16,21)(H,19,20)