[(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 4-bromanyl-1-ethyl-pyrazole-3-carboxylate

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 4-bromanyl-1-ethyl-pyrazole-3-carboxylate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 4-bromo-1-ethyl-pyrazole-3-carboxylate CAS Name: 4-bromo-1-ethyl-3-pyrazolecarboxylic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 4-bromo-1-ethylpyrazole-3-carboxylate Traditional Name: 4-bromo-1-ethyl-pyrazole-3-carboxylic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Formula: C13H12BrN5O4 MolecularWeight: 382.16948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)ON=C(C2=CC=C(C=C2)[N+](=O)[O-])N)Br

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)O/N=C(/C2=CC=C(C=C2)[N+](=O)[O-])\N)Br

InChI

InChI=1S/C13H12BrN5O4/c1-2-18-7-10(14)11(16-18)13(20)23-17-12(15)8-3-5-9(6-4-8)19(21)22/h3-7H,2H2,1H3,(H2,15,17)