[4-[2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] hydrogen carbonate

Systemtic Name: [4-[2-cyano-3-oxidanylidene-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] hydrogen carbonate Openeye Name: [4-[2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] hydrogen carbonate CAS Name: carbonic acid [4-[2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[2-cyano-3-oxo-3-(phenethylamino)prop-1-enyl]-2-methoxyphenyl] hydrogen carbonate Traditional Name: carbonic acid [4-[2-cyano-3-keto-3-(phenethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C20H18N2O5 MolecularWeight: 366.36732

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)OC(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C(=O)NCCC2=CC=CC=C2)OC(=O)O

InChI

InChI=1S/C20H18N2O5/c1-26-18-12-15(7-8-17(18)27-20(24)25)11-16(13-21)19(23)22-10-9-14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H,22,23)(H,24,25)