ethyl (E)-3-(2,4-dimethyl-3,5-dinitro-phenyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-(2,4-dimethyl-3,5-dinitro-phenyl)prop-2-enoate Openeye Name: ethyl (E)-3-(2,4-dimethyl-3,5-dinitro-phenyl)prop-2-enoate CAS Name: (E)-3-(2,4-dimethyl-3,5-dinitrophenyl)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2,4-dimethyl-3,5-dinitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2,4-dimethyl-3,5-dinitro-phenyl)acrylic acid ethyl ester Formula: C13H14N2O6 MolecularWeight: 294.26006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=C(C(=C1C)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O6/c1-4-21-12(16)6-5-10-7-11(14(17)18)9(3)13(8(10)2)15(19)20/h5-7H,4H2,1-3H3/b6-5+