5-butan-2-yl-2-chloranyl-1,3-dinitro-benzene

Systemtic Name: 5-butan-2-yl-2-chloranyl-1,3-dinitro-benzene Openeye Name: 2-chloro-1,3-dinitro-5-sec-butyl-benzene CAS Name: 5-butan-2-yl-2-chloro-1,3-dinitrobenzene IUPAC Name: 5-butan-2-yl-2-chloro-1,3-dinitrobenzene Traditional Name: 2-chloro-1,3-dinitro-5-sec-butyl-benzene Formula: C10H11ClN2O4 MolecularWeight: 258.65834

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=C(C(=C1)[N+](=O)[O-])Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H11ClN2O4/c1-3-6(2)7-4-8(12(14)15)10(11)9(5-7)13(16)17/h4-6H,3H2,1-2H3