4-chloranyl-6-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-yl-ethyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-(2-thienyl)ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[(2R)-2-(4-methyl-1-piperazinyl)-2-thiophen-2-ylethyl]amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[(2R)-2-(4-methylpiperazin-1-yl)-2-thiophen-2-ylethyl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[(2R)-2-(4-methylpiperazino)-2-(2-thienyl)ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C18H21ClN4O3S MolecularWeight: 408.90234

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)C3=CC=CS3

Isomeric SMILES

CN1CCN(CC1)[C@H](CNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)C3=CC=CS3

InChI

InChI=1S/C18H21ClN4O3S/c1-21-4-6-22(7-5-21)16(17-3-2-8-27-17)12-20-11-13-9-14(19)10-15(18(13)24)23(25)26/h2-3,8-11,16,20H,4-7,12H2,1H3/t16-/m1/s1