cyanomethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: cyanomethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: cyanomethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid cyanomethyl ester Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c14-5-8-20-13(17)10-3-4-11(12(9-10)16(18)19)15-6-1-2-7-15/h3-4,9H,1-2,6-8H2