N-(3,5-ditert-butylphenyl)-2,4-dinitro-benzamide

Systemtic Name: N-(3,5-ditert-butylphenyl)-2,4-dinitro-benzamide Openeye Name: N-(3,5-ditert-butylphenyl)-2,4-dinitro-benzamide CAS Name: N-(3,5-ditert-butylphenyl)-2,4-dinitrobenzamide IUPAC Name: N-(3,5-ditert-butylphenyl)-2,4-dinitrobenzamide Traditional Name: N-(3,5-ditert-butylphenyl)-2,4-dinitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-20(2,3)13-9-14(21(4,5)6)11-15(10-13)22-19(25)17-8-7-16(23(26)27)12-18(17)24(28)29/h7-12H,1-6H3,(H,22,25)