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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC(=CC=C1/C(=N/OC(=O)CCN2C=CC(=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)6-8-17-7-5-11(15-17)19(23)24/h1-5,7H,6,8H2,(H2,14,16)