ethyl 2-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate

Systemtic Name: ethyl 2-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]cyclopropane-1-carboxylate Openeye Name: ethyl 2-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]cyclopropanecarboxylate CAS Name: 2-[(3S,4R)-4-nitro-1-(phenylmethyl)-3-pyrrolidinyl]-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(3S,4R)-1-benzyl-4-nitropyrrolidin-3-yl]cyclopropane-1-carboxylate Traditional Name: 2-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]cyclopropanecarboxylic acid ethyl ester Formula: C17H22N2O4 MolecularWeight: 318.36758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC1C2CN(CC2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1CC1[C@H]2CN(C[C@@H]2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C17H22N2O4/c1-2-23-17(20)14-8-13(14)15-10-18(11-16(15)19(21)22)9-12-6-4-3-5-7-12/h3-7,13-16H,2,8-11H2,1H3/t13?,14?,15-,16+/m1/s1