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

Systemtic Name: [[4-[(3,5-ditert-butyl-4-oxidanyl-phenyl)carbonyldiazenyl]phenyl]amino] 3-nitrobenzoate Openeye Name: [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)azoanilino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(3,5-ditert-butyl-4-hydroxyphenyl)-oxomethyl]azoanilino] ester IUPAC Name: [4-[(3,5-ditert-butyl-4-hydroxybenzoyl)diazenyl]anilino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [4-(3,5-ditert-butyl-4-hydroxy-benzoyl)azoanilino] ester Formula: C28H30N4O6 MolecularWeight: 518.561

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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-]

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-]

InChI

InChI=1S/C28H30N4O6/c1-27(2,3)22-15-18(16-23(24(22)33)28(4,5)6)25(34)30-29-19-10-12-20(13-11-19)31-38-26(35)17-8-7-9-21(14-17)32(36)37/h7-16,31,33H,1-6H3