(4E)-4-[[(2-chloranyl-5-nitro-phenyl)amino]methylidene]-2-(4-methoxyphenyl)-5-methyl-pyrazol-3-one

Systemtic Name: (4E)-4-[[(2-chloranyl-5-nitro-phenyl)amino]methylidene]-2-(4-methoxyphenyl)-5-methyl-pyrazol-3-one Openeye Name: (4E)-4-[(2-chloro-5-nitro-anilino)methylene]-2-(4-methoxyphenyl)-5-methyl-pyrazol-3-one CAS Name: (4E)-4-[(2-chloro-5-nitroanilino)methylidene]-2-(4-methoxyphenyl)-5-methyl-3-pyrazolone IUPAC Name: (4E)-4-[(2-chloro-5-nitroanilino)methylidene]-2-(4-methoxyphenyl)-5-methylpyrazol-3-one Traditional Name: (4E)-4-[(2-chloro-5-nitro-anilino)methylene]-2-(4-methoxyphenyl)-5-methyl-2-pyrazolin-3-one Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CNC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC

Isomeric SMILES

CC\1=NN(C(=O)/C1=C/NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=C(C=C3)OC

InChI

InChI=1S/C18H15ClN4O4/c1-11-15(10-20-17-9-13(23(25)26)5-8-16(17)19)18(24)22(21-11)12-3-6-14(27-2)7-4-12/h3-10,20H,1-2H3/b15-10+