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

Systemtic Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-yl-ethyl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidyl)ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-(1-piperidinyl)ethyl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[(2R)-2-(4-methoxyphenyl)-2-piperidino-ethyl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C21H25N3O4 MolecularWeight: 383.4409

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC=C2C=C(C=CC2=O)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC=C2C=C(C=CC2=O)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C21H25N3O4/c1-28-19-8-5-16(6-9-19)20(23-11-3-2-4-12-23)15-22-14-17-13-18(24(26)27)7-10-21(17)25/h5-10,13-14,20,22H,2-4,11-12,15H2,1H3/t20-/m0/s1