(4-butoxy-2,3-dinitro-phenyl) (E)-3-(4-butoxyphenyl)prop-2-enoate

Systemtic Name: (4-butoxy-2,3-dinitro-phenyl) (E)-3-(4-butoxyphenyl)prop-2-enoate Openeye Name: (4-butoxy-2,3-dinitro-phenyl) (E)-3-(4-butoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-propenoic acid (4-butoxy-2,3-dinitrophenyl) ester IUPAC Name: (4-butoxy-2,3-dinitrophenyl) (E)-3-(4-butoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)acrylic acid (4-butoxy-2,3-dinitro-phenyl) ester Formula: C23H26N2O8 MolecularWeight: 458.46114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=CC(=O)OC2=C(C(=C(C=C2)OCCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C/C(=O)OC2=C(C(=C(C=C2)OCCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C23H26N2O8/c1-3-5-15-31-18-10-7-17(8-11-18)9-14-21(26)33-20-13-12-19(32-16-6-4-2)22(24(27)28)23(20)25(29)30/h7-14H,3-6,15-16H2,1-2H3/b14-9+