[(E)-[azanyl(pyridin-3-yl)methylidene]amino] 4-bromanylbenzoate

Systemtic Name: [(E)-[azanyl(pyridin-3-yl)methylidene]amino] 4-bromanylbenzoate Openeye Name: [(E)-[amino(3-pyridyl)methylene]amino] 4-bromobenzoate CAS Name: 4-bromobenzoic acid [(E)-[amino(3-pyridinyl)methylidene]amino] ester IUPAC Name: [(E)-[amino(pyridin-3-yl)methylidene]amino] 4-bromobenzoate Traditional Name: 4-bromobenzoic acid [(E)-[amino(3-pyridyl)methylene]amino] ester Formula: C13H10BrN3O2 MolecularWeight: 320.1414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=NOC(=O)C2=CC=C(C=C2)Br)N

Isomeric SMILES

C1=CC(=CN=C1)/C(=N\OC(=O)C2=CC=C(C=C2)Br)/N

InChI

InChI=1S/C13H10BrN3O2/c14-11-5-3-9(4-6-11)13(18)19-17-12(15)10-2-1-7-16-8-10/h1-8H,(H2,15,17)