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1,3-benzoxazol-2-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate

1,3-benzoxazol-2-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name:1,3-benzoxazol-2-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate
Openeye Name:1,3-benzoxazol-2-ylmethyl 5-nitro-2-pyrrolidin-1-yl-benzoate
CAS Name:5-nitro-2-(1-pyrrolidinyl)benzoic acid 1,3-benzoxazol-2-ylmethyl ester
IUPAC Name:1,3-benzoxazol-2-ylmethyl 5-nitro-2-pyrrolidin-1-ylbenzoate
Traditional Name:5-nitro-2-pyrrolidino-benzoic acid 1,3-benzoxazol-2-ylmethyl ester
Formula: C19H17N3O5
MolecularWeight: 367.35538
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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4O3


Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4O3


InChI

InChI=1S/C19H17N3O5/c23-19(26-12-18-20-15-5-1-2-6-17(15)27-18)14-11-13(22(24)25)7-8-16(14)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2


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