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

Systemtic Name: 6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-4-chloranyl-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-2-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]-4-chloro-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-butyrylpiperazino)anilino]methylene]-4-chloro-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN4O4/c1-2-3-20(27)25-10-8-24(9-11-25)18-6-4-17(5-7-18)23-14-15-12-16(22)13-19(21(15)28)26(29)30/h4-7,12-14,23H,2-3,8-11H2,1H3