methyl 2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate

Systemtic Name: methyl 2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]benzoate Openeye Name: methyl 2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-prop-1-enyl]benzoate CAS Name: 2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]benzoate Traditional Name: 2-[(E)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-prop-1-enyl]benzoic acid methyl ester Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC(=O)C1=CC=CC=C1/C=C(\C#N)/C(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C20H16N2O5/c1-25-20(24)16-5-3-2-4-13(16)10-14(12-21)19(23)22-15-6-7-17-18(11-15)27-9-8-26-17/h2-7,10-11H,8-9H2,1H3,(H,22,23)/b14-10+