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

Systemtic Name: [(3,5-ditert-butyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)amino] 2,4-dinitrobenzoate Openeye Name: [(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)amino] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic 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] 2,4-dinitrobenzoate Traditional Name: 2,4-dinitrobenzoic acid [(3,5-ditert-butyl-4-keto-cyclohexa-2,5-dien-1-ylidene)amino] ester Formula: C21H23N3O7 MolecularWeight: 429.42322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=NOC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=NOC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C21H23N3O7/c1-20(2,3)15-9-12(10-16(18(15)25)21(4,5)6)22-31-19(26)14-8-7-13(23(27)28)11-17(14)24(29)30/h7-11H,1-6H3