[2-(diethylamino)-1,3-benzothiazol-6-yl] 3-nitrobenzoate

Systemtic Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 3-nitrobenzoate Openeye Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(diethylamino)-1,3-benzothiazol-6-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-(diethylamino)-1,3-benzothiazol-6-yl] ester Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)C1=NC2=C(S1)C=C(C=C2)OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4S/c1-3-20(4-2)18-19-15-9-8-14(11-16(15)26-18)25-17(22)12-6-5-7-13(10-12)21(23)24/h5-11H,3-4H2,1-2H3