N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-(2-methoxy-4,6-dinitro-phenoxy)ethanamide

Systemtic Name: N-[(E)-(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylideneamino]-2-(2-methoxy-4,6-dinitro-phenoxy)ethanamide Openeye Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-(2-methoxy-4,6-dinitro-phenoxy)acetamide CAS Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide IUPAC Name: N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(2-methoxy-4,6-dinitrophenoxy)acetamide Traditional Name: N-[(E)-(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyleneamino]-2-(2-methoxy-4,6-dinitro-phenoxy)acetamide Formula: C20H17ClN6O7 MolecularWeight: 488.83798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=O)COC2=C(C=C(C=C2OC)[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=O)COC2=C(C=C(C=C2OC)[N+](=O)[O-])[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN6O7/c1-12-15(20(21)25(24-12)13-6-4-3-5-7-13)10-22-23-18(28)11-34-19-16(27(31)32)8-14(26(29)30)9-17(19)33-2/h3-10H,11H2,1-2H3,(H,23,28)/b22-10+