[2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-oxidanylbenzoate

Systemtic Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxidanylidene-prop-1-enyl]phenyl] 2-oxidanylbenzoate Openeye Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxo-prop-1-enyl]phenyl] 2-hydroxybenzoate CAS Name: 2-hydroxybenzoic acid [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [2-methoxy-4-[(E)-3-(4-nitrooxybutoxy)-3-oxoprop-1-enyl]phenyl] 2-hydroxybenzoate Traditional Name: 2-hydroxybenzoic acid [4-[(E)-3-keto-3-(4-nitrooxybutoxy)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H21NO9 MolecularWeight: 431.39274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC(=O)OCCCCO[N+](=O)[O-])OC(=O)C2=CC=CC=C2O

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C(=O)OCCCCO[N+](=O)[O-])OC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C21H21NO9/c1-28-19-14-15(9-11-20(24)29-12-4-5-13-30-22(26)27)8-10-18(19)31-21(25)16-6-2-3-7-17(16)23/h2-3,6-11,14,23H,4-5,12-13H2,1H3/b11-9+