methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(2-chloro-4-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H10ClN3O5S MolecularWeight: 391.7857

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H10ClN3O5S/c1-25-15(22)8-2-5-12-13(6-8)26-16(18-12)19-14(21)10-4-3-9(20(23)24)7-11(10)17/h2-7H,1H3,(H,18,19,21)