[2-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-5-methoxy-4-oxidanyl-phenyl] ethanoate

Systemtic Name: [2-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-5-methoxy-4-oxidanyl-phenyl] ethanoate Openeye Name: [2-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-4-hydroxy-5-methoxy-phenyl] acetate CAS Name: acetic acid [2-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-4-hydroxy-5-methoxyphenyl] ester IUPAC Name: [2-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-4-hydroxy-5-methoxyphenyl] acetate Traditional Name: acetic acid [2-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-4-hydroxy-5-methoxy-phenyl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC(=C(C=C1C=C(C#N)C(=O)N)O)OC

Isomeric SMILES

CC(=O)OC1=CC(=C(C=C1/C=C(\C#N)/C(=O)N)O)OC

InChI

InChI=1S/C13H12N2O5/c1-7(16)20-11-5-12(19-2)10(17)4-8(11)3-9(6-14)13(15)18/h3-5,17H,1-2H3,(H2,15,18)/b9-3+