non-2-ynyl N-[1-[(4-chloranyl-3-nitro-phenyl)methyl]pyrrolidin-3-yl]carbamate

Systemtic Name: non-2-ynyl N-[1-[(4-chloranyl-3-nitro-phenyl)methyl]pyrrolidin-3-yl]carbamate Openeye Name: non-2-ynyl N-[1-[(4-chloro-3-nitro-phenyl)methyl]pyrrolidin-3-yl]carbamate CAS Name: N-[1-[(4-chloro-3-nitrophenyl)methyl]-3-pyrrolidinyl]carbamic acid non-2-ynyl ester IUPAC Name: non-2-ynyl N-[1-[(4-chloro-3-nitrophenyl)methyl]pyrrolidin-3-yl]carbamate Traditional Name: N-[1-(4-chloro-3-nitro-benzyl)pyrrolidin-3-yl]carbamic acid non-2-ynyl ester Formula: C21H28ClN3O4 MolecularWeight: 421.91772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CCOC(=O)NC1CCN(C1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC#CCOC(=O)NC1CCN(C1)CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H28ClN3O4/c1-2-3-4-5-6-7-8-13-29-21(26)23-18-11-12-24(16-18)15-17-9-10-19(22)20(14-17)25(27)28/h9-10,14,18H,2-6,11-13,15-16H2,1H3,(H,23,26)