N,N-dimethyl-4-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]aniline

Systemtic Name: N,N-dimethyl-4-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]aniline Openeye Name: 4-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]-N,N-dimethyl-aniline CAS Name: N,N-dimethyl-4-[(3S,4R)-4-nitro-1-(phenylmethyl)-3-pyrrolidinyl]aniline IUPAC Name: 4-[(3S,4R)-1-benzyl-4-nitropyrrolidin-3-yl]-N,N-dimethylaniline Traditional Name: [4-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]phenyl]-dimethyl-amine Formula: C19H23N3O2 MolecularWeight: 325.40482

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C2CN(CC2[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)[C@H]2CN(C[C@@H]2[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O2/c1-20(2)17-10-8-16(9-11-17)18-13-21(14-19(18)22(23)24)12-15-6-4-3-5-7-15/h3-11,18-19H,12-14H2,1-2H3/t18-,19+/m1/s1