2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-chloranyl-6-nitro-phenolate

Systemtic Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-chloranyl-6-nitro-phenolate Openeye Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-chloro-6-nitro-phenolate CAS Name: 4-chloro-2-nitro-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-[[4-(4-butanoylpiperazin-1-yl)phenyl]iminomethyl]-4-chloro-6-nitrophenolate Traditional Name: 2-[[4-(4-butyrylpiperazino)phenyl]iminomethyl]-4-chloro-6-nitro-phenolate Formula: C21H22ClN4O4- MolecularWeight: 429.87678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4/c1-2-3-20(27)25-10-8-24(9-11-25)18-6-4-17(5-7-18)23-14-15-12-16(22)13-19(21(15)28)26(29)30/h4-7,12-14,28H,2-3,8-11H2,1H3/p-1