4-chloranyl-7-nitro-3-[3-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]propoxy]isochromen-1-one

Systemtic Name: 4-chloranyl-7-nitro-3-[3-[4-oxidanyl-4-(phenylmethyl)piperidin-1-yl]propoxy]isochromen-1-one Openeye Name: 3-[3-(4-benzyl-4-hydroxy-1-piperidyl)propoxy]-4-chloro-7-nitro-isochromen-1-one CAS Name: 4-chloro-3-[3-[4-hydroxy-4-(phenylmethyl)-1-piperidinyl]propoxy]-7-nitro-2-benzopyran-1-one IUPAC Name: 3-[3-(4-benzyl-4-hydroxypiperidin-1-yl)propoxy]-4-chloro-7-nitroisochromen-1-one Traditional Name: 3-[3-(4-benzyl-4-hydroxy-piperidino)propoxy]-4-chloro-7-nitro-isocoumarin Formula: C24H25ClN2O6 MolecularWeight: 472.9181

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)O)CCCOC3=C(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3)Cl

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)O)CCCOC3=C(C4=C(C=C(C=C4)[N+](=O)[O-])C(=O)O3)Cl

InChI

InChI=1S/C24H25ClN2O6/c25-21-19-8-7-18(27(30)31)15-20(19)22(28)33-23(21)32-14-4-11-26-12-9-24(29,10-13-26)16-17-5-2-1-3-6-17/h1-3,5-8,15,29H,4,9-14,16H2