methyl 3-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]-3-(4-nitro-3-oxidanylidene-1H-isoindol-2-yl)propanoate

Systemtic Name: methyl 3-[4-[bis(fluoranyl)methoxy]-3-(cyclopropylmethoxy)phenyl]-3-(4-nitro-3-oxidanylidene-1H-isoindol-2-yl)propanoate Openeye Name: methyl 3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(7-nitro-1-oxo-isoindolin-2-yl)propanoate CAS Name: 3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(4-nitro-3-oxo-1H-isoindol-2-yl)propanoic acid methyl ester IUPAC Name: methyl 3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(4-nitro-3-oxo-1H-isoindol-2-yl)propanoate Traditional Name: 3-[3-(cyclopropylmethoxy)-4-(difluoromethoxy)phenyl]-3-(1-keto-7-nitro-isoindolin-2-yl)propionic acid methyl ester Formula: C23H22F2N2O7 MolecularWeight: 476.426786

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC(=C(C=C1)OC(F)F)OCC2CC2)N3CC4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CC(C1=CC(=C(C=C1)OC(F)F)OCC2CC2)N3CC4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H22F2N2O7/c1-32-20(28)10-17(26-11-15-3-2-4-16(27(30)31)21(15)22(26)29)14-7-8-18(34-23(24)25)19(9-14)33-12-13-5-6-13/h2-4,7-9,13,17,23H,5-6,10-12H2,1H3