[[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate

Systemtic Name: [[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyldiazenyl]phenyl]amino] 3,5-dinitrobenzoate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)azoanilino] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-ditert-butyl-4-hydroxybenzoyl)diazenyl]anilino] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)azoanilino] ester Formula: C28H29N5O8 MolecularWeight: 563.55856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(=O)N=NC2=CC=C(C=C2)NOC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C28H29N5O8/c1-27(2,3)22-13-16(14-23(24(22)34)28(4,5)6)25(35)30-29-18-7-9-19(10-8-18)31-41-26(36)17-11-20(32(37)38)15-21(12-17)33(39)40/h7-15,31,34H,1-6H3