methyl 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitro-benzoate

Systemtic Name: methyl 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitro-benzoate Openeye Name: methyl 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitro-benzoate CAS Name: 3-[(1,3-benzothiazol-2-ylamino)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitrobenzoate Traditional Name: 3-(1,3-benzothiazol-2-ylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C16H11N3O5S MolecularWeight: 357.34064

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NC2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5S/c1-24-15(21)10-6-9(7-11(8-10)19(22)23)14(20)18-16-17-12-4-2-3-5-13(12)25-16/h2-8H,1H3,(H,17,18,20)