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1,3-benzothiazol-2-ylmethyl 2-morpholin-4-yl-5-nitro-benzoate

1,3-benzothiazol-2-ylmethyl 2-morpholin-4-yl-5-nitro-benzoate

Systemtic Name:1,3-benzothiazol-2-ylmethyl 2-morpholin-4-yl-5-nitro-benzoate
Openeye Name:1,3-benzothiazol-2-ylmethyl 2-morpholino-5-nitro-benzoate
CAS Name:2-(4-morpholinyl)-5-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester
IUPAC Name:1,3-benzothiazol-2-ylmethyl 2-morpholin-4-yl-5-nitrobenzoate
Traditional Name:2-morpholino-5-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester
Formula: C19H17N3O5S
MolecularWeight: 399.42038
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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3


Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3


InChI

InChI=1S/C19H17N3O5S/c23-19(27-12-18-20-15-3-1-2-4-17(15)28-18)14-11-13(22(24)25)5-6-16(14)21-7-9-26-10-8-21/h1-6,11H,7-10,12H2


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