4-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]benzoate

Systemtic Name: 4-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]benzoate Openeye Name: 4-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]benzoate CAS Name: 4-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]benzoate IUPAC Name: 4-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]benzoate Traditional Name: 4-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]benzoate Formula: C16H16NO4- MolecularWeight: 286.30254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=CC=C(C=C2)C(=O)[O-])C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=CC=C(C=C2)C(=O)[O-])C(=O)C1)C

InChI

InChI=1S/C16H17NO4/c1-16(2)7-13(18)12(14(19)8-16)9-17-11-5-3-10(4-6-11)15(20)21/h3-6,9,17H,7-8H2,1-2H3,(H,20,21)/p-1