4-nitrooxybutyl (E)-3-[3-methoxy-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-phenyl]prop-2-enoate

Systemtic Name: 4-nitrooxybutyl (E)-3-[3-methoxy-4-[(E)-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enoyl]oxy-phenyl]prop-2-enoate Openeye Name: 4-nitrooxybutyl (E)-3-[4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoyl]oxy-3-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxoprop-2-enoxy]-3-methoxyphenyl]-2-propenoic acid 4-nitrooxybutyl ester IUPAC Name: 4-nitrooxybutyl (E)-3-[4-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]oxy-3-methoxyphenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(E)-3-(4-hydroxy-3-methoxy-phenyl)acryloyl]oxy-3-methoxy-phenyl]acrylic acid 4-nitrooxybutyl ester Formula: C24H25NO10 MolecularWeight: 487.456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OC2=C(C=C(C=C2)C=CC(=O)OCCCCO[N+](=O)[O-])OC)O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OC2=C(C=C(C=C2)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC)O

InChI

InChI=1S/C24H25NO10/c1-31-21-15-17(5-9-19(21)26)8-12-24(28)35-20-10-6-18(16-22(20)32-2)7-11-23(27)33-13-3-4-14-34-25(29)30/h5-12,15-16,26H,3-4,13-14H2,1-2H3/b11-7+,12-8+