[(1R)-1-cyanoethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [(1R)-1-cyanoethyl] ester Formula: C14H15N3O4 MolecularWeight: 289.2866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C=C1)N2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C14H15N3O4/c1-10(9-15)21-14(18)11-4-5-12(13(8-11)17(19)20)16-6-2-3-7-16/h4-5,8,10H,2-3,6-7H2,1H3/t10-/m1/s1