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

Systemtic Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 2-nitrobenzoate Openeye Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [(2R)-1-(cyclopropylmethyl)-2-pyrrolidin-1-iumyl]methyl ester IUPAC Name: [(2R)-1-(cyclopropylmethyl)pyrrolidin-1-ium-2-yl]methyl 2-nitrobenzoate Traditional Name: 2-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(14-5-1-2-6-15(14)18(20)21)22-11-13-4-3-9-17(13)10-12-7-8-12/h1-2,5-6,12-13H,3-4,7-11H2/p+1/t13-/m1/s1