methyl 2-cyclobutyl-2-isocyanato-3-(4-nitrophenyl)hexanoate

Systemtic Name: methyl 2-cyclobutyl-2-isocyanato-3-(4-nitrophenyl)hexanoate Openeye Name: methyl 2-cyclobutyl-2-isocyanato-3-(4-nitrophenyl)hexanoate CAS Name: 2-cyclobutyl-2-isocyanato-3-(4-nitrophenyl)hexanoic acid methyl ester IUPAC Name: methyl 2-cyclobutyl-2-isocyanato-3-(4-nitrophenyl)hexanoate Traditional Name: 2-cyclobutyl-2-isocyanato-3-(4-nitrophenyl)hexanoic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=C(C=C1)[N+](=O)[O-])C(C2CCC2)(C(=O)OC)N=C=O

Isomeric SMILES

CCCC(C1=CC=C(C=C1)[N+](=O)[O-])C(C2CCC2)(C(=O)OC)N=C=O

InChI

InChI=1S/C18H22N2O5/c1-3-5-16(13-8-10-15(11-9-13)20(23)24)18(19-12-21,17(22)25-2)14-6-4-7-14/h8-11,14,16H,3-7H2,1-2H3