ethyl 2-[2-(4-chloranyl-2-nitro-5-pyrazol-1-yl-phenyl)hydrazinyl]-2-(2-ethoxy-2-oxidanylidene-ethanoyl)imino-ethanoate

Systemtic Name: ethyl 2-[2-(4-chloranyl-2-nitro-5-pyrazol-1-yl-phenyl)hydrazinyl]-2-(2-ethoxy-2-oxidanylidene-ethanoyl)imino-ethanoate Openeye Name: ethyl 2-[2-(4-chloro-2-nitro-5-pyrazol-1-yl-phenyl)hydrazino]-2-(2-ethoxy-2-oxo-acetyl)imino-acetate CAS Name: 2-[[4-chloro-2-nitro-5-(1-pyrazolyl)phenyl]hydrazo]-2-(2-ethoxy-1,2-dioxoethyl)iminoacetic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chloro-2-nitro-5-pyrazol-1-ylphenyl)hydrazinyl]-2-(2-ethoxy-2-oxoacetyl)iminoacetate Traditional Name: 2-[N'-(4-chloro-2-nitro-5-pyrazol-1-yl-phenyl)hydrazino]-2-ethoxalylimino-acetic acid ethyl ester Formula: C17H17ClN6O7 MolecularWeight: 452.80588

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NC(=O)C(=O)OCC)NNC1=C(C=C(C(=C1)N2C=CC=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C(=NC(=O)C(=O)OCC)NNC1=C(C=C(C(=C1)N2C=CC=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H17ClN6O7/c1-3-30-16(26)14(20-15(25)17(27)31-4-2)22-21-11-9-12(23-7-5-6-19-23)10(18)8-13(11)24(28)29/h5-9,21H,3-4H2,1-2H3,(H,20,22,25)