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

Systemtic Name: 3-cyanopropyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 3-cyanopropyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 3-cyanopropyl ester Formula: C15H17N3O4 MolecularWeight: 303.31318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N3O4/c16-7-1-4-10-22-15(19)12-5-6-13(14(11-12)18(20)21)17-8-2-3-9-17/h5-6,11H,1-4,8-10H2