1,3-benzothiazol-2-ylmethyl 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(dimethylamino)-3-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H15N3O4S MolecularWeight: 357.3837

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O4S/c1-19(2)13-8-7-11(9-14(13)20(22)23)17(21)24-10-16-18-12-5-3-4-6-15(12)25-16/h3-9H,10H2,1-2H3