methyl 3-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(6-chloranyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[(6-chloro-1,3-benzothiazol-2-yl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(6-chloro-1,3-benzothiazol-2-yl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C16H10ClN3O5S MolecularWeight: 391.7857

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=C(S2)C=C(C=C3)Cl)[N+](=O)[O-]

InChI

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