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

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

Systemtic Name:methyl 2-[1-(2-azanylethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propanoate
Openeye Name:methyl 2-[1-(2-aminoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propanoate
CAS Name:2-[1-(2-aminoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propanoic acid methyl ester
IUPAC Name:methyl 2-[1-(2-aminoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propanoate
Traditional Name:2-[1-(2-aminoethyl)cyclopentyl]-2-isocyanato-3-(4-nitrophenyl)propionic acid methyl ester
Formula: C18H23N3O5
MolecularWeight: 361.39232
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C18H23N3O5/c1-26-16(23)18(20-13-22,17(10-11-19)8-2-3-9-17)12-14-4-6-15(7-5-14)21(24)25/h4-7H,2-3,8-12,19H2,1H3


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