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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC(=C1C(=C(C)C)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC(=CC(=C1C(=C(C)C)C(=O)O)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H18N2O6/c1-4-5-6-10-7-11(16(20)21)8-12(17(22)23)14(10)13(9(2)3)15(18)19/h7-8H,4-6H2,1-3H3,(H,18,19)