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

Systemtic Name: methyl 4-[(3S,4R)-4-nitro-1-(phenylmethyl)pyrrolidin-3-yl]benzoate Openeye Name: methyl 4-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]benzoate CAS Name: 4-[(3S,4R)-4-nitro-1-(phenylmethyl)-3-pyrrolidinyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3S,4R)-1-benzyl-4-nitropyrrolidin-3-yl]benzoate Traditional Name: 4-[(3S,4R)-1-benzyl-4-nitro-pyrrolidin-3-yl]benzoic acid methyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O4/c1-25-19(22)16-9-7-15(8-10-16)17-12-20(13-18(17)21(23)24)11-14-5-3-2-4-6-14/h2-10,17-18H,11-13H2,1H3/t17-,18+/m1/s1