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

Systemtic Name: [(Z)-[azanyl-(4-nitrophenyl)methylidene]amino] 3-(4-nitropyrazol-1-yl)propanoate Openeye Name: [(Z)-[amino-(4-nitrophenyl)methylene]amino] 3-(4-nitropyrazol-1-yl)propanoate CAS Name: 3-(4-nitro-1-pyrazolyl)propanoic acid [(Z)-[amino-(4-nitrophenyl)methylidene]amino] ester IUPAC Name: [(Z)-[amino-(4-nitrophenyl)methylidene]amino] 3-(4-nitropyrazol-1-yl)propanoate Traditional Name: 3-(4-nitropyrazol-1-yl)propionic acid [(Z)-[amino-(4-nitrophenyl)methylene]amino] ester Formula: C13H12N6O6 MolecularWeight: 348.27098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N6O6/c14-13(9-1-3-10(4-2-9)18(21)22)16-25-12(20)5-6-17-8-11(7-15-17)19(23)24/h1-4,7-8H,5-6H2,(H2,14,16)