2-(4-bromophenyl)-4-[[(3,5-dinitrophenyl)amino]methylidene]-5-methyl-pyrazol-3-one

Systemtic Name: 2-(4-bromophenyl)-4-[[(3,5-dinitrophenyl)amino]methylidene]-5-methyl-pyrazol-3-one Openeye Name: 2-(4-bromophenyl)-4-[(3,5-dinitroanilino)methylene]-5-methyl-pyrazol-3-one CAS Name: 2-(4-bromophenyl)-4-[(3,5-dinitroanilino)methylidene]-5-methyl-3-pyrazolone IUPAC Name: 2-(4-bromophenyl)-4-[(3,5-dinitroanilino)methylidene]-5-methylpyrazol-3-one Traditional Name: 2-(4-bromophenyl)-4-[(3,5-dinitroanilino)methylene]-5-methyl-2-pyrazolin-3-one Formula: C17H12BrN5O5 MolecularWeight: 446.21168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12BrN5O5/c1-10-16(17(24)21(20-10)13-4-2-11(18)3-5-13)9-19-12-6-14(22(25)26)8-15(7-12)23(27)28/h2-9,19H,1H3