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

Systemtic Name: 4-chloranyl-2-nitro-6-[[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-2-nitro-6-[[[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-2-nitro-6-[[[(2S)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-2-nitro-6-[[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-2-nitro-6-[[[(2S)-2-pyrrolidino-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H18ClN3O3S MolecularWeight: 379.86112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)C3=CC=CS3

Isomeric SMILES

C1CCN(C1)[C@@H](CNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)C3=CC=CS3

InChI

InChI=1S/C17H18ClN3O3S/c18-13-8-12(17(22)14(9-13)21(23)24)10-19-11-15(16-4-3-7-25-16)20-5-1-2-6-20/h3-4,7-10,15,19H,1-2,5-6,11H2/t15-/m0/s1