methyl 2-cyclopentyl-2-isocyanato-4-(4-methoxyphenyl)-3-(4-nitrophenyl)butanoate

Systemtic Name: methyl 2-cyclopentyl-2-isocyanato-4-(4-methoxyphenyl)-3-(4-nitrophenyl)butanoate Openeye Name: methyl 2-cyclopentyl-2-isocyanato-4-(4-methoxyphenyl)-3-(4-nitrophenyl)butanoate CAS Name: 2-cyclopentyl-2-isocyanato-4-(4-methoxyphenyl)-3-(4-nitrophenyl)butanoic acid methyl ester IUPAC Name: methyl 2-cyclopentyl-2-isocyanato-4-(4-methoxyphenyl)-3-(4-nitrophenyl)butanoate Traditional Name: 2-cyclopentyl-2-isocyanato-4-(4-methoxyphenyl)-3-(4-nitrophenyl)butyric acid methyl ester Formula: C24H26N2O6 MolecularWeight: 438.47304

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(C2=CC=C(C=C2)[N+](=O)[O-])C(C3CCCC3)(C(=O)OC)N=C=O

Isomeric SMILES

COC1=CC=C(C=C1)CC(C2=CC=C(C=C2)[N+](=O)[O-])C(C3CCCC3)(C(=O)OC)N=C=O

InChI

InChI=1S/C24H26N2O6/c1-31-21-13-7-17(8-14-21)15-22(18-9-11-20(12-10-18)26(29)30)24(25-16-27,23(28)32-2)19-5-3-4-6-19/h7-14,19,22H,3-6,15H2,1-2H3