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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-chloranyl-4-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-4-nitro-benzoate CAS Name: 2-chloro-4-nitrobenzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-chloro-4-nitrobenzoate Traditional Name: 2-chloro-4-nitro-benzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H9ClN2O4S MolecularWeight: 348.76096

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9ClN2O4S/c16-11-7-9(18(20)21)5-6-10(11)15(19)22-8-14-17-12-3-1-2-4-13(12)23-14/h1-7H,8H2