1,3-benzothiazol-2-ylmethyl 4-ethoxy-3-nitro-benzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-ethoxy-3-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OCC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5S/c1-2-23-14-8-7-11(9-13(14)19(21)22)17(20)24-10-16-18-12-5-3-4-6-15(12)25-16/h3-9H,2,10H2,1H3