methyl 3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(4,5-dihydrothiazol-2-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(4,5-dihydrothiazol-2-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(4,5-dihydro-1,3-thiazol-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-nitro-5-(2-thiazolin-2-ylcarbamoyl)benzoic acid methyl ester Formula: C12H11N3O5S MolecularWeight: 309.29784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NCCS2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NCCS2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N3O5S/c1-20-11(17)8-4-7(5-9(6-8)15(18)19)10(16)14-12-13-2-3-21-12/h4-6H,2-3H2,1H3,(H,13,14,16)