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

Systemtic Name: [4-[(Z)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]phenyl] 4-isocyanobenzoate Openeye Name: [4-[(Z)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]phenyl] 4-isocyanobenzoate CAS Name: 4-isocyanobenzoic acid [4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]phenyl] 4-isocyanobenzoate Traditional Name: 4-isocyanobenzoic acid [4-[(Z)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]phenyl] ester Formula: C20H14N2O4 MolecularWeight: 346.33616

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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)[N+]#[C-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C20H14N2O4/c1-3-25-19(23)16(13-21)12-14-4-10-18(11-5-14)26-20(24)15-6-8-17(22-2)9-7-15/h4-12H,3H2,1H3/b16-12-