2-[(6-nitro-4-oxidanylidene-1-propan-2-yl-cinnolin-3-yl)carbonylamino]ethanoic acid

Systemtic Name: 2-[(6-nitro-4-oxidanylidene-1-propan-2-yl-cinnolin-3-yl)carbonylamino]ethanoic acid Openeye Name: 2-[(1-isopropyl-6-nitro-4-oxo-cinnoline-3-carbonyl)amino]acetic acid CAS Name: 2-[[(6-nitro-4-oxo-1-propan-2-yl-3-cinnolinyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[(6-nitro-4-oxo-1-propan-2-ylcinnoline-3-carbonyl)amino]acetic acid Traditional Name: 2-[(1-isopropyl-4-keto-6-nitro-cinnoline-3-carbonyl)amino]acetic acid Formula: C14H14N4O6 MolecularWeight: 334.28416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C(=N1)C(=O)NCC(=O)O

Isomeric SMILES

CC(C)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C(=N1)C(=O)NCC(=O)O

InChI

InChI=1S/C14H14N4O6/c1-7(2)17-10-4-3-8(18(23)24)5-9(10)13(21)12(16-17)14(22)15-6-11(19)20/h3-5,7H,6H2,1-2H3,(H,15,22)(H,19,20)