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

Systemtic Name: 6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidino-ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C20H23N3O4 MolecularWeight: 369.41432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC=C2C=C(C=CC2=O)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC=C2C=C(C=CC2=O)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C20H23N3O4/c1-27-20-7-3-2-6-17(20)18(22-10-4-5-11-22)14-21-13-15-12-16(23(25)26)8-9-19(15)24/h2-3,6-9,12-13,18,21H,4-5,10-11,14H2,1H3/t18-/m0/s1