3-[(4Z)-3-methyl-4-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid

Systemtic Name: 3-[(4Z)-3-methyl-4-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoic acid Openeye Name: 3-[(4Z)-3-methyl-4-[[4-(4-methylpiperazin-1-yl)-3-nitro-phenyl]methylene]-5-oxo-pyrazol-1-yl]benzoic acid CAS Name: 3-[(4Z)-3-methyl-4-[[4-(4-methyl-1-piperazinyl)-3-nitrophenyl]methylidene]-5-oxo-1-pyrazolyl]benzoic acid IUPAC Name: 3-[(4Z)-3-methyl-4-[[4-(4-methylpiperazin-1-yl)-3-nitrophenyl]methylidene]-5-oxopyrazol-1-yl]benzoic acid Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-[4-(4-methylpiperazino)-3-nitro-benzylidene]-2-pyrazolin-1-yl]benzoic acid Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC(=C(C=C2)N3CCN(CC3)C)[N+](=O)[O-])C4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C23H23N5O5/c1-15-19(22(29)27(24-15)18-5-3-4-17(14-18)23(30)31)12-16-6-7-20(21(13-16)28(32)33)26-10-8-25(2)9-11-26/h3-7,12-14H,8-11H2,1-2H3,(H,30,31)/b19-12-