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

Systemtic Name: 1-[[7-nitro-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(7-nitro-2,3-dioxo-1,4-dihydroquinoxalin-5-yl)methyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2,3-diketo-7-nitro-1,4-dihydroquinoxalin-5-yl)methyl]proline Formula: C14H14N4O6 MolecularWeight: 334.28416

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CC(N(C1)CC2=CC(=CC3=C2NC(=O)C(=O)N3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H14N4O6/c19-12-13(20)16-11-7(4-8(18(23)24)5-9(11)15-12)6-17-3-1-2-10(17)14(21)22/h4-5,10H,1-3,6H2,(H,15,19)(H,16,20)(H,21,22)