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

Systemtic Name: 4-acetamido-3-[(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Openeye Name: 4-acetamido-3-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid CAS Name: 4-acetamido-3-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino]benzoic acid IUPAC Name: 4-acetamido-3-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Traditional Name: 4-acetamido-3-[(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino]benzoic acid Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C(C=C1)C(=O)O)N=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(=O)NC1=C(C=C(C=C1)C(=O)O)N=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C23H28N2O4/c1-13(26)24-18-9-8-14(21(28)29)10-19(18)25-15-11-16(22(2,3)4)20(27)17(12-15)23(5,6)7/h8-12H,1-7H3,(H,24,26)(H,28,29)