[4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzoate

Systemtic Name: [4-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzoate Openeye Name: [4-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid [4-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H18N2O7 MolecularWeight: 410.37682

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)OC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])OC)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O7/c1-4-29-20(24)16(12-22)9-14-6-8-18(19(10-14)28-3)30-21(25)15-7-5-13(2)17(11-15)23(26)27/h5-11H,4H2,1-3H3/b16-9+