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

Systemtic Name: 4-chloranyl-6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C21H24ClN3O4 MolecularWeight: 417.88596

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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)N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC=C2C=C(C=C(C2=O)[N+](=O)[O-])Cl)N3CCCCC3

InChI

InChI=1S/C21H24ClN3O4/c1-29-18-7-5-15(6-8-18)20(24-9-3-2-4-10-24)14-23-13-16-11-17(22)12-19(21(16)26)25(27)28/h5-8,11-13,20,23H,2-4,9-10,14H2,1H3/t20-/m0/s1