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

Systemtic Name: 4-chloranyl-6-[[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-pyrrolidino-ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)N3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)N3CCCC3

InChI

InChI=1S/C20H22ClN3O4/c1-28-17-6-4-14(5-7-17)19(23-8-2-3-9-23)13-22-12-15-10-16(21)11-18(20(15)25)24(26)27/h4-7,10-12,19,22H,2-3,8-9,13H2,1H3/t19-/m0/s1