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

Systemtic Name: O3-[2-methoxy-4-[(E)-3-methoxy-3-oxidanylidene-prop-1-enyl]phenyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-methoxy-4-[(E)-3-methoxy-3-oxo-prop-1-enyl]phenyl] O1-methyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] ester O1-methyl ester IUPAC Name: 3-O-[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] 1-O-methyl 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[4-[(E)-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester O1-methyl ester Formula: C20H17NO9 MolecularWeight: 415.35028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17NO9/c1-27-17-8-12(5-7-18(22)28-2)4-6-16(17)30-20(24)14-9-13(19(23)29-3)10-15(11-14)21(25)26/h4-11H,1-3H3/b7-5+