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

Systemtic Name: [(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 4-isocyanatobenzoate Openeye Name: [(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 4-isocyanatobenzoate CAS Name: 4-isocyanatobenzoic acid [(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)amino] ester IUPAC Name: [(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)amino] 4-isocyanatobenzoate Traditional Name: 4-isocyanatobenzoic acid [(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C22H24N2O4 MolecularWeight: 380.43696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-21(2,3)17-11-16(12-18(19(17)26)22(4,5)6)24-28-20(27)14-7-9-15(10-8-14)23-13-25/h7-12H,1-6H3