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

Systemtic Name: 6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-methoxy-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-methoxy-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-butyrylpiperazino)anilino]methylene]-2-methoxy-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H26N4O5 MolecularWeight: 426.46564

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-3-4-21(27)25-11-9-24(10-12-25)18-7-5-17(6-8-18)23-15-16-13-19(26(29)30)14-20(31-2)22(16)28/h5-8,13-15,23H,3-4,9-12H2,1-2H3