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

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 2-(4-bromanylpyrazol-1-yl)ethanoate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 2-(4-bromopyrazol-1-yl)acetate CAS Name: 2-(4-bromo-1-pyrazolyl)acetic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 2-(4-bromopyrazol-1-yl)acetate Traditional Name: 2-(4-bromopyrazol-1-yl)acetic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Formula: C12H10BrN5O4 MolecularWeight: 368.1429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=NOC(=O)CN2C=C(C=N2)Br)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C(=N/OC(=O)CN2C=C(C=N2)Br)/N)[N+](=O)[O-]

InChI

InChI=1S/C12H10BrN5O4/c13-9-5-15-17(6-9)7-11(19)22-16-12(14)8-1-3-10(4-2-8)18(20)21/h1-6H,7H2,(H2,14,16)