butyl 2-(2,4-dinitrophenyl)-3-methyl-but-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(=C(C)C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC(=O)C(=C(C)C)C1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-]

InChI

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