ethyl 4-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-prop-2-enoyl]amino]benzoate CAS Name: 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-1-oxoprop-2-enyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyanoprop-2-enoyl]amino]benzoate Traditional Name: 4-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-2-cyano-acryloyl]amino]benzoic acid ethyl ester Formula: C20H15ClN2O5 MolecularWeight: 398.7965

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(=CC2=CC3=C(C(=C2)Cl)OCO3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)/C(=C/C2=CC3=C(C(=C2)Cl)OCO3)/C#N

InChI

InChI=1S/C20H15ClN2O5/c1-2-26-20(25)13-3-5-15(6-4-13)23-19(24)14(10-22)7-12-8-16(21)18-17(9-12)27-11-28-18/h3-9H,2,11H2,1H3,(H,23,24)/b14-7+