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

Systemtic Name: 1,3-benzothiazol-2-yl 4-chloranyl-3-nitro-benzoate Openeye Name: 1,3-benzothiazol-2-yl 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid 1,3-benzothiazol-2-yl ester IUPAC Name: 1,3-benzothiazol-2-yl 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid 1,3-benzothiazol-2-yl ester Formula: C14H7ClN2O4S MolecularWeight: 334.73438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H7ClN2O4S/c15-9-6-5-8(7-11(9)17(19)20)13(18)21-14-16-10-3-1-2-4-12(10)22-14/h1-7H