methyl 2-[4-iodanyl-3-(4-nitrophenyl)-1H-isochromen-1-yl]-2-methyl-propanoate

Systemtic Name: methyl 2-[4-iodanyl-3-(4-nitrophenyl)-1H-isochromen-1-yl]-2-methyl-propanoate Openeye Name: methyl 2-[4-iodo-3-(4-nitrophenyl)-1H-isochromen-1-yl]-2-methyl-propanoate CAS Name: 2-[4-iodo-3-(4-nitrophenyl)-1H-2-benzopyran-1-yl]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[4-iodo-3-(4-nitrophenyl)-1H-isochromen-1-yl]-2-methylpropanoate Traditional Name: 2-[4-iodo-3-(4-nitrophenyl)-1H-isochromen-1-yl]-2-methyl-propionic acid methyl ester Formula: C20H18INO5 MolecularWeight: 479.26509

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1C2=CC=CC=C2C(=C(O1)C3=CC=C(C=C3)[N+](=O)[O-])I)C(=O)OC

Isomeric SMILES

CC(C)(C1C2=CC=CC=C2C(=C(O1)C3=CC=C(C=C3)[N+](=O)[O-])I)C(=O)OC

InChI

InChI=1S/C20H18INO5/c1-20(2,19(23)26-3)18-15-7-5-4-6-14(15)16(21)17(27-18)12-8-10-13(11-9-12)22(24)25/h4-11,18H,1-3H3