[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-2-ethoxy-phenyl] 4-nitrobenzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)OCC)OC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

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