N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[(E)-(6-bromanyl-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-triethoxy-benzamide Openeye Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3,4,5-triethoxy-benzamide CAS Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-triethoxybenzamide IUPAC Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methylideneamino]-3,4,5-triethoxybenzamide Traditional Name: N-[(E)-(6-bromo-1,3-benzodioxol-5-yl)methyleneamino]-3,4,5-triethoxy-benzamide Formula: C21H23BrN2O6 MolecularWeight: 479.32112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NN=CC2=CC3=C(C=C2Br)OCO3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N/N=C/C2=CC3=C(C=C2Br)OCO3

InChI

InChI=1S/C21H23BrN2O6/c1-4-26-18-7-13(8-19(27-5-2)20(18)28-6-3)21(25)24-23-11-14-9-16-17(10-15(14)22)30-12-29-16/h7-11H,4-6,12H2,1-3H3,(H,24,25)/b23-11+