1,3-benzothiazol-2-ylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=NC4=CC=CC=C4S3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O4S/c23-19(26-12-18-20-14-5-1-2-6-17(14)27-18)13-7-8-15(16(11-13)22(24)25)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2