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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-bromanyl-3-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H9BrN2O4S MolecularWeight: 393.21196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9BrN2O4S/c16-10-6-5-9(7-12(10)18(20)21)15(19)22-8-14-17-11-3-1-2-4-13(11)23-14/h1-7H,8H2