O1-ethyl O3-[2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H19NO9 MolecularWeight: 429.37686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO9/c1-4-30-20(24)14-10-15(12-16(11-14)22(26)27)21(25)31-17-7-5-13(9-18(17)28-2)6-8-19(23)29-3/h5-12H,4H2,1-3H3/b8-6+