2-[6-nitro-2,3-bis(oxidanylidene)-4H-benzo[h]quinoxalin-1-yl]propanoic acid

Systemtic Name: 2-[6-nitro-2,3-bis(oxidanylidene)-4H-benzo[h]quinoxalin-1-yl]propanoic acid Openeye Name: 2-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)propanoic acid CAS Name: 2-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)propanoic acid IUPAC Name: 2-(6-nitro-2,3-dioxo-4H-benzo[h]quinoxalin-1-yl)propanoic acid Traditional Name: 2-(2,3-diketo-6-nitro-4H-benzo[h]quinoxalin-1-yl)propionic acid Formula: C15H11N3O6 MolecularWeight: 329.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])NC(=O)C1=O

Isomeric SMILES

CC(C(=O)O)N1C2=C(C=C(C3=CC=CC=C32)[N+](=O)[O-])NC(=O)C1=O

InChI

InChI=1S/C15H11N3O6/c1-7(15(21)22)17-12-9-5-3-2-4-8(9)11(18(23)24)6-10(12)16-13(19)14(17)20/h2-7H,1H3,(H,16,19)(H,21,22)