[2-methoxy-4-[(E)-2-nitroethenyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate

Systemtic Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate Openeye Name: [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyano-prop-2-enoate CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-2-propenoic acid [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-2-nitroethenyl]phenyl] (E)-3-(4-butoxyphenyl)-2-cyanoprop-2-enoate Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-acrylic acid [2-methoxy-4-[(E)-2-nitrovinyl]phenyl] ester Formula: C23H22N2O6 MolecularWeight: 422.43058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O6/c1-3-4-13-30-20-8-5-17(6-9-20)14-19(16-24)23(26)31-21-10-7-18(11-12-25(27)28)15-22(21)29-2/h5-12,14-15H,3-4,13H2,1-2H3/b12-11+,19-14+