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

Systemtic Name: methyl 2-[1-(2-azidoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propanoate Openeye Name: methyl 2-[1-(2-azidoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propanoate CAS Name: 2-[1-(2-azidoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propanoic acid methyl ester IUPAC Name: methyl 2-[1-(2-azidoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propanoate Traditional Name: 2-[1-(2-azidoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propionic acid methyl ester Formula: C18H21N5O5 MolecularWeight: 387.38984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(C2(CCCC2)CCN=[N+]=[N-])N=C=O

Isomeric SMILES

COC(=O)C(CC1=CC=C(C=C1)[N+](=O)[O-])(C2(CCCC2)CCN=[N+]=[N-])N=C=O

InChI

InChI=1S/C18H21N5O5/c1-28-16(25)18(20-13-24,12-14-4-6-15(7-5-14)23(26)27)17(8-2-3-9-17)10-11-21-22-19/h4-7H,2-3,8-12H2,1H3