(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]ethanoate Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate CAS Name: 2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]acetic acid (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[[(E)-3-phenylprop-2-enoyl]amino]acetate Traditional Name: 2-[[(E)-3-phenylacryloyl]amino]acetic acid (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C22H18ClNO5 MolecularWeight: 411.83502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)C=CC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)COC(=O)CNC(=O)/C=C/C3=CC=CC=C3)Cl

InChI

InChI=1S/C22H18ClNO5/c1-14-9-19-17(11-18(14)23)16(10-21(26)29-19)13-28-22(27)12-24-20(25)8-7-15-5-3-2-4-6-15/h2-11H,12-13H2,1H3,(H,24,25)/b8-7+