N-[(E)-(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(E)-(5-bromanyl-2-prop-2-ynoxy-phenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(E)-(5-bromo-2-prop-2-ynoxy-phenyl)methyleneamino]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(E)-(5-bromo-2-prop-2-ynoxyphenyl)methylideneamino]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(E)-(5-bromo-2-propargyloxy-benzylidene)amino]-piperonylamide Formula: C18H13BrN2O4 MolecularWeight: 401.21082

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC1=C(C=C(C=C1)Br)C=NNC(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

C#CCOC1=C(C=C(C=C1)Br)/C=N/NC(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H13BrN2O4/c1-2-7-23-15-6-4-14(19)8-13(15)10-20-21-18(22)12-3-5-16-17(9-12)25-11-24-16/h1,3-6,8-10H,7,11H2,(H,21,22)/b20-10+