[[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyldiazenyl]phenyl]amino] 2,4-dinitrobenzoate

Systemtic Name: [[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyldiazenyl]phenyl]amino] 2,4-dinitrobenzoate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)azoanilino] 2,4-dinitrobenzoate CAS Name: 2,4-dinitrobenzoic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-ditert-butyl-4-hydroxybenzoyl)diazenyl]anilino] 2,4-dinitrobenzoate Traditional Name: 2,4-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=C(C=C(C=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=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

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