3-[(4Z)-3-methyl-4-[[4-[(3S)-4-methyl-3-nitro-piperazin-1-yl]phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate

Systemtic Name: 3-[(4Z)-3-methyl-4-[[4-[(3S)-4-methyl-3-nitro-piperazin-1-yl]phenyl]methylidene]-5-oxidanylidene-pyrazol-1-yl]benzoate Openeye Name: 3-[(4Z)-3-methyl-4-[[4-[(3S)-4-methyl-3-nitro-piperazin-1-yl]phenyl]methylene]-5-oxo-pyrazol-1-yl]benzoate CAS Name: 3-[(4Z)-3-methyl-4-[[4-[(3S)-4-methyl-3-nitro-1-piperazinyl]phenyl]methylidene]-5-oxo-1-pyrazolyl]benzoate IUPAC Name: 3-[(4Z)-3-methyl-4-[[4-[(3S)-4-methyl-3-nitropiperazin-1-yl]phenyl]methylidene]-5-oxopyrazol-1-yl]benzoate Traditional Name: 3-[(4Z)-5-keto-3-methyl-4-[4-[(3S)-4-methyl-3-nitro-piperazino]benzylidene]-2-pyrazolin-1-yl]benzoate Formula: C23H22N5O5- MolecularWeight: 448.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N3CCN(C(C3)[N+](=O)[O-])C)C4=CC=CC(=C4)C(=O)[O-]

Isomeric SMILES

CC\1=NN(C(=O)/C1=C\C2=CC=C(C=C2)N3CCN([C@H](C3)[N+](=O)[O-])C)C4=CC=CC(=C4)C(=O)[O-]

InChI

InChI=1S/C23H23N5O5/c1-15-20(22(29)27(24-15)19-5-3-4-17(13-19)23(30)31)12-16-6-8-18(9-7-16)26-11-10-25(2)21(14-26)28(32)33/h3-9,12-13,21H,10-11,14H2,1-2H3,(H,30,31)/p-1/b20-12-/t21-/m0/s1