[2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate

Systemtic Name: [2-[(4-morpholin-4-ylphenyl)amino]-2-oxidanylidene-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate Openeye Name: [2-(4-morpholinoanilino)-2-oxo-ethyl] 3-(1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoate CAS Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-2-propenoic acid [2-[4-(4-morpholinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-morpholin-4-ylanilino)-2-oxoethyl] 3-(1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoate Traditional Name: 3-(1,3-benzodioxol-5-yl)-2-cyano-acrylic acid [2-keto-2-(4-morpholinoanilino)ethyl] ester Formula: C23H21N3O6 MolecularWeight: 435.42934

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)COC(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C23H21N3O6/c24-13-17(11-16-1-6-20-21(12-16)32-15-31-20)23(28)30-14-22(27)25-18-2-4-19(5-3-18)26-7-9-29-10-8-26/h1-6,11-12H,7-10,14-15H2,(H,25,27)