1,3-benzothiazol-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-hydroxyethylamino)-5-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(2-hydroxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-hydroxyethylamino)-5-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])NCCO

InChI

InChI=1S/C17H15N3O5S/c21-8-7-18-13-6-5-11(20(23)24)9-12(13)17(22)25-10-16-19-14-3-1-2-4-15(14)26-16/h1-6,9,18,21H,7-8,10H2