2-bromanylethanoic acid; N-[(E)-(4-cyanophenyl)methylideneamino]methanamide

Systemtic Name: 2-bromanylethanoic acid; N-[(E)-(4-cyanophenyl)methylideneamino]methanamide Openeye Name: 2-bromoacetic acid; N-[(E)-(4-cyanophenyl)methyleneamino]formamide CAS Name: 2-bromoacetic acid; N-[(E)-(4-cyanophenyl)methylideneamino]formamide IUPAC Name: 2-bromoacetic acid; N-[(E)-(4-cyanophenyl)methylideneamino]formamide Traditional Name: 2-bromoacetic acid; N-[(E)-(4-cyanobenzylidene)amino]formamide Formula: C11H10BrN3O3 MolecularWeight: 312.1194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC=O)C#N.C(C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC=O)C#N.C(C(=O)O)Br

InChI

InChI=1S/C9H7N3O.C2H3BrO2/c10-5-8-1-3-9(4-2-8)6-11-12-7-13;3-1-2(4)5/h1-4,6-7H,(H,12,13);1H2,(H,4,5)/b11-6+;