2-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid

Systemtic Name: 2-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]ethanoic acid Openeye Name: 2-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]acetic acid CAS Name: 2-[(3S,4R)-4-nitro-1-(phenylmethyl)-3-pyrrolidinyl]acetic acid IUPAC Name: 2-[(3S,4R)-1-benzyl-4-nitropyrrolidin-3-yl]acetic acid Traditional Name: 2-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]acetic acid Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CC2=CC=CC=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1[C@@H]([C@H](CN1CC2=CC=CC=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C13H16N2O4/c16-13(17)6-11-8-14(9-12(11)15(18)19)7-10-4-2-1-3-5-10/h1-5,11-12H,6-9H2,(H,16,17)/t11-,12-/m0/s1