4-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]phenol

Systemtic Name: 4-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]phenol Openeye Name: 4-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]phenol CAS Name: 4-[(3S,4R)-4-nitro-1-(phenylmethyl)-3-pyrrolidinyl]phenol IUPAC Name: 4-[(3S,4R)-1-benzyl-4-nitropyrrolidin-3-yl]phenol Traditional Name: 4-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]phenol Formula: C17H18N2O3 MolecularWeight: 298.33642

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CN1CC2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)O

Isomeric SMILES

C1[C@@H]([C@H](CN1CC2=CC=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)O

InChI

InChI=1S/C17H18N2O3/c20-15-8-6-14(7-9-15)16-11-18(12-17(16)19(21)22)10-13-4-2-1-3-5-13/h1-9,16-17,20H,10-12H2/t16-,17+/m1/s1