4-[5-nitro-2,3-bis(oxidanylidene)indol-1-yl]butanoic acid

Systemtic Name: 4-[5-nitro-2,3-bis(oxidanylidene)indol-1-yl]butanoic acid Openeye Name: 4-(5-nitro-2,3-dioxo-indolin-1-yl)butanoic acid CAS Name: 4-(5-nitro-2,3-dioxo-1-indolyl)butanoic acid IUPAC Name: 4-(5-nitro-2,3-dioxoindol-1-yl)butanoic acid Traditional Name: 4-(2,3-diketo-5-nitro-indolin-1-yl)butyric acid Formula: C12H10N2O6 MolecularWeight: 278.2176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2CCCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=O)C(=O)N2CCCC(=O)O

InChI

InChI=1S/C12H10N2O6/c15-10(16)2-1-5-13-9-4-3-7(14(19)20)6-8(9)11(17)12(13)18/h3-4,6H,1-2,5H2,(H,15,16)