[(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 3-nitrobenzoate

Systemtic Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 3-nitrobenzoate Openeye Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(2R)-1-(cyclopropylmethyl)-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl ester Formula: C16H21N2O4+ MolecularWeight: 305.34894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2CC2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1C[C@@H]([NH+](C1)CC2CC2)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N2O4/c19-16(13-3-1-4-14(9-13)18(20)21)22-11-15-5-2-8-17(15)10-12-6-7-12/h1,3-4,9,12,15H,2,5-8,10-11H2/p+1/t15-/m1/s1