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

Systemtic Name: 2-[[4-(4-ethanoylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Openeye Name: 2-[[4-(4-acetylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate CAS Name: 2-[[4-(4-acetyl-1-piperazinyl)phenyl]iminomethyl]-4-methyl-6-nitrophenolate IUPAC Name: 2-[[4-(4-acetylpiperazin-1-yl)phenyl]iminomethyl]-4-methyl-6-nitrophenolate Traditional Name: 2-[[4-(4-acetylpiperazino)phenyl]iminomethyl]-4-methyl-6-nitro-phenolate Formula: C20H21N4O4- MolecularWeight: 381.40514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C=NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C=NC2=CC=C(C=C2)N3CCN(CC3)C(=O)C)[O-])[N+](=O)[O-]

InChI

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