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

Systemtic Name: 3-[6-nitro-2,3-bis(oxidanylidene)-7-pyrrol-1-yl-4H-quinoxalin-1-yl]propanoic acid Openeye Name: 3-(6-nitro-2,3-dioxo-7-pyrrol-1-yl-4H-quinoxalin-1-yl)propanoic acid CAS Name: 3-[6-nitro-2,3-dioxo-7-(1-pyrrolyl)-4H-quinoxalin-1-yl]propanoic acid IUPAC Name: 3-(6-nitro-2,3-dioxo-7-pyrrol-1-yl-4H-quinoxalin-1-yl)propanoic acid Traditional Name: 3-(2,3-diketo-6-nitro-7-pyrrol-1-yl-4H-quinoxalin-1-yl)propionic acid Formula: C15H12N4O6 MolecularWeight: 344.27898

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CN(C=C1)C2=C(C=C3C(=C2)N(C(=O)C(=O)N3)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O6/c20-13(21)3-6-18-10-8-11(17-4-1-2-5-17)12(19(24)25)7-9(10)16-14(22)15(18)23/h1-2,4-5,7-8H,3,6H2,(H,16,22)(H,20,21)