5-chloranyl-2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]benzoic acid

Systemtic Name: 5-chloranyl-2-[[4,4-dimethyl-2,6-bis(oxidanylidene)cyclohexylidene]methylamino]benzoic acid Openeye Name: 5-chloro-2-[(4,4-dimethyl-2,6-dioxo-cyclohexylidene)methylamino]benzoic acid CAS Name: 5-chloro-2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]benzoic acid IUPAC Name: 5-chloro-2-[(4,4-dimethyl-2,6-dioxocyclohexylidene)methylamino]benzoic acid Traditional Name: 5-chloro-2-[(2,6-diketo-4,4-dimethyl-cyclohexylidene)methylamino]benzoic acid Formula: C16H16ClNO4 MolecularWeight: 321.75554

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(=CNC2=C(C=C(C=C2)Cl)C(=O)O)C(=O)C1)C

Isomeric SMILES

CC1(CC(=O)C(=CNC2=C(C=C(C=C2)Cl)C(=O)O)C(=O)C1)C

InChI

InChI=1S/C16H16ClNO4/c1-16(2)6-13(19)11(14(20)7-16)8-18-12-4-3-9(17)5-10(12)15(21)22/h3-5,8,18H,6-7H2,1-2H3,(H,21,22)