[4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate

Systemtic Name: [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate Openeye Name: [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-oxoprop-1-enyl]-2-ethoxyphenyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [4-[(Z)-2-cyano-3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C28H24N2O6 MolecularWeight: 484.49996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC(=CC=C4)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(/C#N)\C(=O)NC2=CC3=C(C=C2)OCCO3)OC(=O)C4=CC(=CC=C4)C

InChI

InChI=1S/C28H24N2O6/c1-3-33-25-15-19(7-9-24(25)36-28(32)20-6-4-5-18(2)13-20)14-21(17-29)27(31)30-22-8-10-23-26(16-22)35-12-11-34-23/h4-10,13-16H,3,11-12H2,1-2H3,(H,30,31)/b21-14-