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

Systemtic Name: 2-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate Openeye Name: 2-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate CAS Name: 2-nitro-6-[[4-[4-(1-oxopropyl)-1-piperazinyl]phenyl]iminomethyl]phenolate IUPAC Name: 2-nitro-6-[[4-(4-propanoylpiperazin-1-yl)phenyl]iminomethyl]phenolate Traditional Name: 2-nitro-6-[[4-(4-propionylpiperazino)phenyl]iminomethyl]phenolate Formula: C20H21N4O4- MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4/c1-2-19(25)23-12-10-22(11-13-23)17-8-6-16(7-9-17)21-14-15-4-3-5-18(20(15)26)24(27)28/h3-9,14,26H,2,10-13H2,1H3/p-1