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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-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=CC(=C(C=C2)[N+](=O)[O-])C(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1COCCN1C2=CC(=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(5-6-16(14)22(24)25)21-7-9-26-10-8-21/h1-6,11H,7-10,12H2