5-[[4-[(E)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: 5-[[4-[(E)-N-(1,3-benzodioxol-5-ylcarbonylamino)-C-methyl-carbonimidoyl]phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: 5-[4-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methyl-carbonimidoyl]anilino]-5-oxo-pentanoate CAS Name: 5-[4-[(1E)-1-[[1,3-benzodioxol-5-yl(oxo)methyl]hydrazinylidene]ethyl]anilino]-5-oxopentanoate IUPAC Name: 5-[4-[(E)-N-(1,3-benzodioxole-5-carbonylamino)-C-methylcarbonimidoyl]anilino]-5-oxopentanoate Traditional Name: 5-keto-5-[4-[(E)-C-methyl-N-(piperonyloylamino)carbonimidoyl]anilino]valerate Formula: C21H20N3O6- MolecularWeight: 410.4

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=CC2=C(C=C1)OCO2)C3=CC=C(C=C3)NC(=O)CCCC(=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)C1=CC2=C(C=C1)OCO2)/C3=CC=C(C=C3)NC(=O)CCCC(=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-13(23-24-21(28)15-7-10-17-18(11-15)30-12-29-17)14-5-8-16(9-6-14)22-19(25)3-2-4-20(26)27/h5-11H,2-4,12H2,1H3,(H,22,25)(H,24,28)(H,26,27)/p-1/b23-13+