[(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone

Systemtic Name: [(3S)-6-chloranyl-3,4-dihydro-2H-chromen-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: [(3S)-6-chlorochroman-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [(3S)-6-chloro-3,4-dihydro-2H-1-benzopyran-3-yl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [(3S)-6-chloro-3,4-dihydro-2H-chromen-3-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [(3S)-6-chlorochroman-3-yl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C20H20ClN3O4 MolecularWeight: 401.8435

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3CC4=C(C=CC(=C4)Cl)OC3

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[C@H]3CC4=C(C=CC(=C4)Cl)OC3

InChI

InChI=1S/C20H20ClN3O4/c21-16-1-6-19-14(12-16)11-15(13-28-19)20(25)23-9-7-22(8-10-23)17-2-4-18(5-3-17)24(26)27/h1-6,12,15H,7-11,13H2/t15-/m0/s1