[(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 2-(4-bromanylpyrazol-1-yl)propanoate

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 2-(4-bromanylpyrazol-1-yl)propanoate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 2-(4-bromopyrazol-1-yl)propanoate CAS Name: 2-(4-bromo-1-pyrazolyl)propanoic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-(4-bromopyrazol-1-yl)propanoate Traditional Name: 2-(4-bromopyrazol-1-yl)propionic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Formula: C13H12BrN5O4 MolecularWeight: 382.16948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)ON=C(C1=CC=C(C=C1)[N+](=O)[O-])N)N2C=C(C=N2)Br

Isomeric SMILES

CC(C(=O)O/N=C(/C1=CC=C(C=C1)[N+](=O)[O-])\N)N2C=C(C=N2)Br

InChI

InChI=1S/C13H12BrN5O4/c1-8(18-7-10(14)6-16-18)13(20)23-17-12(15)9-2-4-11(5-3-9)19(21)22/h2-8H,1H3,(H2,15,17)