3-(benzotriazol-1-yl)-N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]propanamide

Systemtic Name: 3-(benzotriazol-1-yl)-N-[(E)-(5-bromanyl-2-methoxy-phenyl)methylideneamino]propanamide Openeye Name: 3-(benzotriazol-1-yl)-N-[(E)-(5-bromo-2-methoxy-phenyl)methyleneamino]propanamide CAS Name: 3-(1-benzotriazolyl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]propanamide IUPAC Name: 3-(benzotriazol-1-yl)-N-[(E)-(5-bromo-2-methoxyphenyl)methylideneamino]propanamide Traditional Name: 3-(benzotriazol-1-yl)-N-[(E)-(5-bromo-2-methoxy-benzylidene)amino]propionamide Formula: C17H16BrN5O2 MolecularWeight: 402.24524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=NNC(=O)CCN2C3=CC=CC=C3N=N2

Isomeric SMILES

COC1=C(C=C(C=C1)Br)/C=N/NC(=O)CCN2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H16BrN5O2/c1-25-16-7-6-13(18)10-12(16)11-19-21-17(24)8-9-23-15-5-3-2-4-14(15)20-22-23/h2-7,10-11H,8-9H2,1H3,(H,21,24)/b19-11+