2-[6-nitro-2,3-bis(oxidanylidene)-7-sulfamoyl-4H-benzo[h]quinoxalin-1-yl]propanoic acid

Systemtic Name: 2-[6-nitro-2,3-bis(oxidanylidene)-7-sulfamoyl-4H-benzo[h]quinoxalin-1-yl]propanoic acid Openeye Name: 2-(6-nitro-2,3-dioxo-7-sulfamoyl-4H-benzo[h]quinoxalin-1-yl)propanoic acid CAS Name: 2-(6-nitro-2,3-dioxo-7-sulfamoyl-4H-benzo[h]quinoxalin-1-yl)propanoic acid IUPAC Name: 2-(6-nitro-2,3-dioxo-7-sulfamoyl-4H-benzo[h]quinoxalin-1-yl)propanoic acid Traditional Name: 2-(2,3-diketo-6-nitro-7-sulfamoyl-4H-benzo[h]quinoxalin-1-yl)propionic acid Formula: C15H12N4O8S MolecularWeight: 408.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=C3C=CC=C(C3=C(C=C2NC(=O)C1=O)[N+](=O)[O-])S(=O)(=O)N

Isomeric SMILES

CC(C(=O)O)N1C2=C3C=CC=C(C3=C(C=C2NC(=O)C1=O)[N+](=O)[O-])S(=O)(=O)N

InChI

InChI=1S/C15H12N4O8S/c1-6(15(22)23)18-12-7-3-2-4-10(28(16,26)27)11(7)9(19(24)25)5-8(12)17-13(20)14(18)21/h2-6H,1H3,(H,17,20)(H,22,23)(H2,16,26,27)