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

Systemtic Name: 2-bromanylethanoic acid; N-[(E)-(4-nitrophenyl)methylideneamino]methanamide Openeye Name: 2-bromoacetic acid; N-[(E)-(4-nitrophenyl)methyleneamino]formamide CAS Name: 2-bromoacetic acid; N-[(E)-(4-nitrophenyl)methylideneamino]formamide IUPAC Name: 2-bromoacetic acid; N-[(E)-(4-nitrophenyl)methylideneamino]formamide Traditional Name: 2-bromoacetic acid; N-[(E)-(4-nitrobenzylidene)amino]formamide Formula: C10H10BrN3O5 MolecularWeight: 332.1075

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=NNC=O)[N+](=O)[O-].C(C(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1/C=N/NC=O)[N+](=O)[O-].C(C(=O)O)Br

InChI

InChI=1S/C8H7N3O3.C2H3BrO2/c12-6-10-9-5-7-1-3-8(4-2-7)11(13)14;3-1-2(4)5/h1-6H,(H,10,12);1H2,(H,4,5)/b9-5+;