(2,6-dinitro-4-pentan-3-yl-phenyl) (E)-but-2-enoate

Systemtic Name: (2,6-dinitro-4-pentan-3-yl-phenyl) (E)-but-2-enoate Openeye Name: [4-(1-ethylpropyl)-2,6-dinitro-phenyl] (E)-but-2-enoate CAS Name: (E)-2-butenoic acid (2,6-dinitro-4-pentan-3-ylphenyl) ester IUPAC Name: (2,6-dinitro-4-pentan-3-ylphenyl) (E)-but-2-enoate Traditional Name: (E)-but-2-enoic acid [4-(1-ethylpropyl)-2,6-dinitro-phenyl] ester Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O6/c1-4-7-14(18)23-15-12(16(19)20)8-11(10(5-2)6-3)9-13(15)17(21)22/h4,7-10H,5-6H2,1-3H3/b7-4+