N-[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(3-chloranyl-4-methoxy-phenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(3-chloro-4-methoxyphenyl)-5-benzotriazolyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(3-chloro-4-methoxyphenyl)benzotriazol-5-yl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(3-chloro-4-methoxy-phenyl)benzotriazol-5-yl]-piperonylamide Formula: C21H15ClN4O4 MolecularWeight: 422.8212

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=O)C4=CC5=C(C=C4)OCO5)Cl

InChI

InChI=1S/C21H15ClN4O4/c1-28-18-7-4-14(10-15(18)22)26-24-16-5-3-13(9-17(16)25-26)23-21(27)12-2-6-19-20(8-12)30-11-29-19/h2-10H,11H2,1H3,(H,23,27)