(4E)-2-(3-chlorophenyl)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-2-(3-chlorophenyl)-4-[(4-methoxy-3-nitro-phenyl)methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(3-chlorophenyl)-4-[(4-methoxy-3-nitro-phenyl)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(3-chlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(3-chlorophenyl)-4-[(4-methoxy-3-nitrophenyl)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(3-chlorophenyl)-4-(4-methoxy-3-nitro-benzylidene)-5-methyl-2-pyrazolin-3-one Formula: C18H14ClN3O4 MolecularWeight: 371.77446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC(=CC=C3)Cl

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/C2=CC(=C(C=C2)OC)[N+](=O)[O-])C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H14ClN3O4/c1-11-15(8-12-6-7-17(26-2)16(9-12)22(24)25)18(23)21(20-11)14-5-3-4-13(19)10-14/h3-10H,1-2H3/b15-8+