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

Systemtic Name: (4E)-2-(4-bromophenyl)-4-[[(4-methoxy-2-nitro-phenyl)amino]methylidene]-5-methyl-pyrazol-3-one Openeye Name: (4E)-2-(4-bromophenyl)-4-[(4-methoxy-2-nitro-anilino)methylene]-5-methyl-pyrazol-3-one CAS Name: (4E)-2-(4-bromophenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: (4E)-2-(4-bromophenyl)-4-[(4-methoxy-2-nitroanilino)methylidene]-5-methylpyrazol-3-one Traditional Name: (4E)-2-(4-bromophenyl)-4-[(4-methoxy-2-nitro-anilino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C18H15BrN4O4 MolecularWeight: 431.2401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN4O4/c1-11-15(18(24)22(21-11)13-5-3-12(19)4-6-13)10-20-16-8-7-14(27-2)9-17(16)23(25)26/h3-10,20H,1-2H3/b15-10+