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

Systemtic Name: [6-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-3-oxidanyl-phenyl] ethanoate Openeye Name: [6-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-3-hydroxy-2-methoxy-phenyl] acetate CAS Name: acetic acid [6-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-hydroxy-2-methoxyphenyl] ester IUPAC Name: [6-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-3-hydroxy-2-methoxyphenyl] acetate Traditional Name: acetic acid [6-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-3-hydroxy-2-methoxy-phenyl] ester Formula: C13H12N2O5 MolecularWeight: 276.24478

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=CC(=C1OC)O)C=C(C#N)C(=O)N

Isomeric SMILES

CC(=O)OC1=C(C=CC(=C1OC)O)/C=C(\C#N)/C(=O)N

InChI

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