2-ethoxy-4-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate

Systemtic Name: 2-ethoxy-4-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 2-ethoxy-4-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate CAS Name: 2-ethoxy-4-nitro-6-[[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-ethoxy-4-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate Traditional Name: 2-ethoxy-4-nitro-6-[[4-(4-propionylpiperazino)phenyl]iminomethyl]phenolate Formula: C22H25N4O5- MolecularWeight: 425.4577

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])OCC)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=CC=C(C=C2)N=CC3=CC(=CC(=C3[O-])OCC)[N+](=O)[O-]

InChI

InChI=1S/C22H26N4O5/c1-3-21(27)25-11-9-24(10-12-25)18-7-5-17(6-8-18)23-15-16-13-19(26(29)30)14-20(22(16)28)31-4-2/h5-8,13-15,28H,3-4,9-12H2,1-2H3/p-1