6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-ethoxy-4-nitro-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylidene]-2-ethoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-butyrylpiperazino)anilino]methylene]-2-ethoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)OCC)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC=C3C=C(C=C(C3=O)OCC)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O5/c1-3-5-22(28)26-12-10-25(11-13-26)19-8-6-18(7-9-19)24-16-17-14-20(27(30)31)15-21(23(17)29)32-4-2/h6-9,14-16,24H,3-5,10-13H2,1-2H3