4-methoxy-3-[(1R)-1-(4-nitrophenyl)-3-oxidanylidene-pentyl]chromen-2-one

Systemtic Name: 4-methoxy-3-[(1R)-1-(4-nitrophenyl)-3-oxidanylidene-pentyl]chromen-2-one Openeye Name: 4-methoxy-3-[(1R)-1-(4-nitrophenyl)-3-oxo-pentyl]chromen-2-one CAS Name: 4-methoxy-3-[(1R)-1-(4-nitrophenyl)-3-oxopentyl]-1-benzopyran-2-one IUPAC Name: 4-methoxy-3-[(1R)-1-(4-nitrophenyl)-3-oxopentyl]chromen-2-one Traditional Name: 3-[(1R)-3-keto-1-(4-nitrophenyl)pentyl]-4-methoxy-coumarin Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)OC

Isomeric SMILES

CCC(=O)C[C@H](C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)OC

InChI

InChI=1S/C21H19NO6/c1-3-15(23)12-17(13-8-10-14(11-9-13)22(25)26)19-20(27-2)16-6-4-5-7-18(16)28-21(19)24/h4-11,17H,3,12H2,1-2H3/t17-/m1/s1