4-[3,6,6-trimethyl-4,5-bis(oxidanylidene)-7H-indazol-1-yl]benzoate

Systemtic Name: 4-[3,6,6-trimethyl-4,5-bis(oxidanylidene)-7H-indazol-1-yl]benzoate Openeye Name: 4-(3,6,6-trimethyl-4,5-dioxo-7H-indazol-1-yl)benzoate CAS Name: 4-(3,6,6-trimethyl-4,5-dioxo-7H-indazol-1-yl)benzoate IUPAC Name: 4-(3,6,6-trimethyl-4,5-dioxo-7H-indazol-1-yl)benzoate Traditional Name: 4-(4,5-diketo-3,6,6-trimethyl-7H-indazol-1-yl)benzoate Formula: C17H15N2O4- MolecularWeight: 311.312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

CC1=NN(C2=C1C(=O)C(=O)C(C2)(C)C)C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C17H16N2O4/c1-9-13-12(8-17(2,3)15(21)14(13)20)19(18-9)11-6-4-10(5-7-11)16(22)23/h4-7H,8H2,1-3H3,(H,22,23)/p-1