[4-[(E)-3-(4-acetamidophenoxy)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-nitrooxybutanoate

Systemtic Name: [4-[(E)-3-(4-acetamidophenoxy)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-nitrooxybutanoate Openeye Name: [4-[(E)-3-(4-acetamidophenoxy)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-nitrooxybutanoate CAS Name: 4-nitrooxybutanoic acid [4-[(E)-3-(4-acetamidophenoxy)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-(4-acetamidophenoxy)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-nitrooxybutanoate Traditional Name: 4-nitrooxybutyric acid [4-[(E)-3-(4-acetamidophenoxy)-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C22H22N2O9 MolecularWeight: 458.41808

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C=CC2=CC(=C(C=C2)OC(=O)CCCO[N+](=O)[O-])OC

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)/C=C/C2=CC(=C(C=C2)OC(=O)CCCO[N+](=O)[O-])OC

InChI

InChI=1S/C22H22N2O9/c1-15(25)23-17-7-9-18(10-8-17)32-22(27)12-6-16-5-11-19(20(14-16)30-2)33-21(26)4-3-13-31-24(28)29/h5-12,14H,3-4,13H2,1-2H3,(H,23,25)/b12-6+