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

Systemtic Name: 4-nitro-6-[[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-yl-ethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 4-nitro-6-[[[(2S)-2-pyrrolidin-1-yl-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one CAS Name: 4-nitro-6-[[[(2S)-2-(1-pyrrolidinyl)-2-thiophen-2-ylethyl]amino]methylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 4-nitro-6-[[[(2S)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]amino]methylidene]cyclohexa-2,4-dien-1-one Traditional Name: 4-nitro-6-[[[(2S)-2-pyrrolidino-2-(2-thienyl)ethyl]amino]methylene]cyclohexa-2,4-dien-1-one Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CS3

Isomeric SMILES

C1CCN(C1)[C@@H](CNC=C2C=C(C=CC2=O)[N+](=O)[O-])C3=CC=CS3

InChI

InChI=1S/C17H19N3O3S/c21-16-6-5-14(20(22)23)10-13(16)11-18-12-15(17-4-3-9-24-17)19-7-1-2-8-19/h3-6,9-11,15,18H,1-2,7-8,12H2/t15-/m0/s1