(2-morpholin-4-yl-1,3-benzothiazol-6-yl) 3-nitrobenzoate

Systemtic Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 3-nitrobenzoate Openeye Name: (2-morpholino-1,3-benzothiazol-6-yl) 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(4-morpholinyl)-1,3-benzothiazol-6-yl] ester IUPAC Name: (2-morpholin-4-yl-1,3-benzothiazol-6-yl) 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid (2-morpholino-1,3-benzothiazol-6-yl) ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=NC3=C(S2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H15N3O5S/c22-17(12-2-1-3-13(10-12)21(23)24)26-14-4-5-15-16(11-14)27-18(19-15)20-6-8-25-9-7-20/h1-5,10-11H,6-9H2