3-(2-butan-2-yl-4,6-dinitro-phenyl)-2-methyl-but-2-enoic acid

Systemtic Name: 3-(2-butan-2-yl-4,6-dinitro-phenyl)-2-methyl-but-2-enoic acid Openeye Name: 3-(2,4-dinitro-6-sec-butyl-phenyl)-2-methyl-but-2-enoic acid CAS Name: 3-(2-butan-2-yl-4,6-dinitrophenyl)-2-methyl-2-butenoic acid IUPAC Name: 3-(2-butan-2-yl-4,6-dinitrophenyl)-2-methylbut-2-enoic acid Traditional Name: 3-(2,4-dinitro-6-sec-butyl-phenyl)-2-methyl-but-2-enoic acid Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC(=CC(=C1C(=C(C)C(=O)O)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC(=CC(=C1C(=C(C)C(=O)O)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-5-8(2)12-6-11(16(20)21)7-13(17(22)23)14(12)9(3)10(4)15(18)19/h6-8H,5H2,1-4H3,(H,18,19)