[1-(2-methoxyethyl)cyclopentyl] 2-isocyanato-3-(4-nitrophenyl)propanoate

Systemtic Name: [1-(2-methoxyethyl)cyclopentyl] 2-isocyanato-3-(4-nitrophenyl)propanoate Openeye Name: [1-(2-methoxyethyl)cyclopentyl] 2-isocyanato-3-(4-nitrophenyl)propanoate CAS Name: 2-isocyanato-3-(4-nitrophenyl)propanoic acid [1-(2-methoxyethyl)cyclopentyl] ester IUPAC Name: [1-(2-methoxyethyl)cyclopentyl] 2-isocyanato-3-(4-nitrophenyl)propanoate Traditional Name: 2-isocyanato-3-(4-nitrophenyl)propionic acid [1-(2-methoxyethyl)cyclopentyl] ester Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1(CCCC1)OC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N=C=O

Isomeric SMILES

COCCC1(CCCC1)OC(=O)C(CC2=CC=C(C=C2)[N+](=O)[O-])N=C=O

InChI

InChI=1S/C18H22N2O6/c1-25-11-10-18(8-2-3-9-18)26-17(22)16(19-13-21)12-14-4-6-15(7-5-14)20(23)24/h4-7,16H,2-3,8-12H2,1H3