2-butan-2-yl-4,6-dinitro-phenol; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea

Systemtic Name: 2-butan-2-yl-4,6-dinitro-phenol; 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea Openeye Name: 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; 2,4-dinitro-6-sec-butyl-phenol CAS Name: 2-butan-2-yl-4,6-dinitrophenol; 3-(3,4-dichlorophenyl)-1,1-dimethylurea IUPAC Name: 2-butan-2-yl-4,6-dinitrophenol; 3-(3,4-dichlorophenyl)-1,1-dimethylurea Traditional Name: 3-(3,4-dichlorophenyl)-1,1-dimethyl-urea; 2,4-dinitro-6-sec-butyl-phenol Formula: C19H22Cl2N4O6 MolecularWeight: 473.30718

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1O)[N+](=O)[O-])[N+](=O)[O-].CN(C)C(=O)NC1=CC(=C(C=C1)Cl)Cl

InChI

InChI=1S/C10H12N2O5.C9H10Cl2N2O/c1-3-6(2)8-4-7(11(14)15)5-9(10(8)13)12(16)17;1-13(2)9(14)12-6-3-4-7(10)8(11)5-6/h4-6,13H,3H2,1-2H3;3-5H,1-2H3,(H,12,14)