[3-[(1R)-1-(3-nitrophenyl)-3-oxidanylidene-butyl]-2-oxidanylidene-chromen-4-yl] ethanoate

Systemtic Name: [3-[(1R)-1-(3-nitrophenyl)-3-oxidanylidene-butyl]-2-oxidanylidene-chromen-4-yl] ethanoate Openeye Name: [3-[(1R)-1-(3-nitrophenyl)-3-oxo-butyl]-2-oxo-chromen-4-yl] acetate CAS Name: acetic acid [3-[(1R)-1-(3-nitrophenyl)-3-oxobutyl]-2-oxo-1-benzopyran-4-yl] ester IUPAC Name: [3-[(1R)-1-(3-nitrophenyl)-3-oxobutyl]-2-oxochromen-4-yl] acetate Traditional Name: acetic acid [2-keto-3-[(1R)-3-keto-1-(3-nitrophenyl)butyl]chromen-4-yl] ester Formula: C21H17NO7 MolecularWeight: 395.36218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17NO7/c1-12(23)10-17(14-6-5-7-15(11-14)22(26)27)19-20(28-13(2)24)16-8-3-4-9-18(16)29-21(19)25/h3-9,11,17H,10H2,1-2H3/t17-/m1/s1