N-[(E)-[1-(3-methylbutyl)-2-oxidanylidene-indol-3-ylidene]amino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-[1-(3-methylbutyl)-2-oxidanylidene-indol-3-ylidene]amino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-(1-isopentyl-2-oxo-indolin-3-ylidene)amino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-[1-(3-methylbutyl)-2-oxo-3-indolylidene]amino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-[1-(3-methylbutyl)-2-oxoindol-3-ylidene]amino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-(1-isoamyl-2-keto-indolin-3-ylidene)amino]-piperonylamide Formula: C21H21N3O4 MolecularWeight: 379.40914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=CC=CC=C2C(=NNC(=O)C3=CC4=C(C=C3)OCO4)C1=O

Isomeric SMILES

CC(C)CCN1C2=CC=CC=C2/C(=N\NC(=O)C3=CC4=C(C=C3)OCO4)/C1=O

InChI

InChI=1S/C21H21N3O4/c1-13(2)9-10-24-16-6-4-3-5-15(16)19(21(24)26)22-23-20(25)14-7-8-17-18(11-14)28-12-27-17/h3-8,11,13H,9-10,12H2,1-2H3,(H,23,25)/b22-19+