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

Systemtic Name: 2-bromanyl-6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 2-bromo-6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 2-bromo-4-nitro-6-[[4-[4-(1-oxobutyl)-1-piperazinyl]anilino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 2-bromo-6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 2-bromo-6-[[4-(4-butyrylpiperazino)anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H23BrN4O4 MolecularWeight: 475.33572

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O4/c1-2-3-20(27)25-10-8-24(9-11-25)17-6-4-16(5-7-17)23-14-15-12-18(26(29)30)13-19(22)21(15)28/h4-7,12-14,23H,2-3,8-11H2,1H3