3-(6,8-dinitro-2-oxidanylidene-3,4-dihydro-1H-quinolin-7-yl)propanoic acid

Systemtic Name: 3-(6,8-dinitro-2-oxidanylidene-3,4-dihydro-1H-quinolin-7-yl)propanoic acid Openeye Name: 3-(6,8-dinitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoic acid CAS Name: 3-(6,8-dinitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoic acid IUPAC Name: 3-(6,8-dinitro-2-oxo-3,4-dihydro-1H-quinolin-7-yl)propanoic acid Traditional Name: 3-(2-keto-6,8-dinitro-3,4-dihydro-1H-quinolin-7-yl)propionic acid Formula: C12H11N3O7 MolecularWeight: 309.23164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC2=C(C(=C(C=C21)[N+](=O)[O-])CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CC(=O)NC2=C(C(=C(C=C21)[N+](=O)[O-])CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O7/c16-9-3-1-6-5-8(14(19)20)7(2-4-10(17)18)12(15(21)22)11(6)13-9/h5H,1-4H2,(H,13,16)(H,17,18)