N-[4-[(4E)-4-[(2-ethoxy-5-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]phenyl]ethanamide

Systemtic Name: N-[4-[(4E)-4-[(2-ethoxy-5-nitro-phenyl)methylidene]-3-methyl-5-oxidanylidene-pyrazol-1-yl]phenyl]ethanamide Openeye Name: N-[4-[(4E)-4-[(2-ethoxy-5-nitro-phenyl)methylene]-3-methyl-5-oxo-pyrazol-1-yl]phenyl]acetamide CAS Name: N-[4-[(4E)-4-[(2-ethoxy-5-nitrophenyl)methylidene]-3-methyl-5-oxo-1-pyrazolyl]phenyl]acetamide IUPAC Name: N-[4-[(4E)-4-[(2-ethoxy-5-nitrophenyl)methylidene]-3-methyl-5-oxopyrazol-1-yl]phenyl]acetamide Traditional Name: N-[4-[(4E)-4-(2-ethoxy-5-nitro-benzylidene)-5-keto-3-methyl-2-pyrazolin-1-yl]phenyl]acetamide Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)[N+](=O)[O-])C=C2C(=NN(C2=O)C3=CC=C(C=C3)NC(=O)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)[N+](=O)[O-])/C=C/2\C(=NN(C2=O)C3=CC=C(C=C3)NC(=O)C)C

InChI

InChI=1S/C21H20N4O5/c1-4-30-20-10-9-18(25(28)29)11-15(20)12-19-13(2)23-24(21(19)27)17-7-5-16(6-8-17)22-14(3)26/h5-12H,4H2,1-3H3,(H,22,26)/b19-12+