4-azanyl-3-[(2,6-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid

Systemtic Name: 4-azanyl-3-[(2,6-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Openeye Name: 4-amino-3-[(2,6-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid CAS Name: 4-amino-3-[(2,6-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino]benzoic acid IUPAC Name: 4-amino-3-[(2,6-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Traditional Name: 4-amino-3-[(2,6-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Formula: C21H26N2O3 MolecularWeight: 354.44274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)C=C(C1=NC2=C(C=CC(=C2)C(=O)O)N)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=O)C=C(C1=NC2=C(C=CC(=C2)C(=O)O)N)C(C)(C)C

InChI

InChI=1S/C21H26N2O3/c1-20(2,3)14-10-13(24)11-15(21(4,5)6)18(14)23-17-9-12(19(25)26)7-8-16(17)22/h7-11H,22H2,1-6H3,(H,25,26)