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

Systemtic Name: (4E)-4-[[(4-chloranyl-2-nitro-phenyl)amino]methylidene]-5-methyl-2-(2-methylphenyl)pyrazol-3-one Openeye Name: (4E)-4-[(4-chloro-2-nitro-anilino)methylene]-5-methyl-2-(o-tolyl)pyrazol-3-one CAS Name: (4E)-4-[(4-chloro-2-nitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)-3-pyrazolone IUPAC Name: (4E)-4-[(4-chloro-2-nitroanilino)methylidene]-5-methyl-2-(2-methylphenyl)pyrazol-3-one Traditional Name: (4E)-4-[(4-chloro-2-nitro-anilino)methylene]-5-methyl-2-(o-tolyl)-2-pyrazolin-3-one Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C(=CNC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=N2)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)/C(=C/NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])/C(=N2)C

InChI

InChI=1S/C18H15ClN4O3/c1-11-5-3-4-6-16(11)22-18(24)14(12(2)21-22)10-20-15-8-7-13(19)9-17(15)23(25)26/h3-10,20H,1-2H3/b14-10+