[(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 3-(4-bromanylpyrazol-1-yl)propanoate

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 3-(4-bromanylpyrazol-1-yl)propanoate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 3-(4-bromopyrazol-1-yl)propanoate CAS Name: 3-(4-bromo-1-pyrazolyl)propanoic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 3-(4-bromopyrazol-1-yl)propanoate Traditional Name: 3-(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:

C1=CC(=CC=C1C(=NOC(=O)CCN2C=C(C=N2)Br)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C(=N/OC(=O)CCN2C=C(C=N2)Br)/N)[N+](=O)[O-]

InChI

InChI=1S/C13H12BrN5O4/c14-10-7-16-18(8-10)6-5-12(20)23-17-13(15)9-1-3-11(4-2-9)19(21)22/h1-4,7-8H,5-6H2,(H2,15,17)