4-(5-nitro-1H-indol-3-yl)-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(5-nitro-1H-indol-3-yl)-4-oxidanylidene-butanoic acid Openeye Name: 4-(5-nitro-1H-indol-3-yl)-4-oxo-butanoic acid CAS Name: 4-(5-nitro-1H-indol-3-yl)-4-oxobutanoic acid IUPAC Name: 4-(5-nitro-1H-indol-3-yl)-4-oxobutanoic acid Traditional Name: 4-keto-4-(5-nitro-1H-indol-3-yl)butyric acid Formula: C12H10N2O5 MolecularWeight: 262.2182

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1[N+](=O)[O-])C(=CN2)C(=O)CCC(=O)O

InChI

InChI=1S/C12H10N2O5/c15-11(3-4-12(16)17)9-6-13-10-2-1-7(14(18)19)5-8(9)10/h1-2,5-6,13H,3-4H2,(H,16,17)