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

Systemtic Name: 4-methyl-2-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 4-methyl-2-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate CAS Name: 4-methyl-2-nitro-6-[[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 4-methyl-2-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate Traditional Name: 4-methyl-2-nitro-6-[[4-(4-propionylpiperazino)phenyl]iminomethyl]phenolate Formula: C21H23N4O4- MolecularWeight: 395.43172

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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-])[N+](=O)[O-])C

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-3-20(26)24-10-8-23(9-11-24)18-6-4-17(5-7-18)22-14-16-12-15(2)13-19(21(16)27)25(28)29/h4-7,12-14,27H,3,8-11H2,1-2H3/p-1