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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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