(6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate

Systemtic Name: (6,7-dimethyl-2-oxidanylidene-chromen-4-yl)methyl 2-(1,3-benzodioxol-5-ylcarbonylamino)ethanoate Openeye Name: (6,7-dimethyl-2-oxo-chromen-4-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]acetic acid (6,7-dimethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (6,7-dimethyl-2-oxochromen-4-yl)methyl 2-(1,3-benzodioxole-5-carbonylamino)acetate Traditional Name: 2-(piperonyloylamino)acetic acid (2-keto-6,7-dimethyl-chromen-4-yl)methyl ester Formula: C22H19NO7 MolecularWeight: 409.38876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)COC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H19NO7/c1-12-5-16-15(8-20(24)30-18(16)6-13(12)2)10-27-21(25)9-23-22(26)14-3-4-17-19(7-14)29-11-28-17/h3-8H,9-11H2,1-2H3,(H,23,26)