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

Systemtic Name: 6-[[[4-(4-butanoylpiperazin-1-yl)phenyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-(4-butanoylpiperazin-1-yl)anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 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]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-(4-butyrylpiperazino)anilino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O4/c1-2-4-20(26)24-13-11-23(12-14-24)18-9-7-17(8-10-18)22-15-16-5-3-6-19(21(16)27)25(28)29/h3,5-10,15,22H,2,4,11-14H2,1H3