(4E)-2-(4-iodophenyl)-5-methyl-4-[[(2-nitrophenyl)amino]methylidene]pyrazol-3-one

Systemtic Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[[(2-nitrophenyl)amino]methylidene]pyrazol-3-one Openeye Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(2-nitroanilino)methylene]pyrazol-3-one CAS Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(2-nitroanilino)methylidene]-3-pyrazolone IUPAC Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(2-nitroanilino)methylidene]pyrazol-3-one Traditional Name: (4E)-2-(4-iodophenyl)-5-methyl-4-[(2-nitroanilino)methylene]-2-pyrazolin-3-one Formula: C17H13IN4O3 MolecularWeight: 448.21459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13IN4O3/c1-11-14(10-19-15-4-2-3-5-16(15)22(24)25)17(23)21(20-11)13-8-6-12(18)7-9-13/h2-10,19H,1H3/b14-10+