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

Systemtic Name: methyl 3-(1,3-benzothiazol-2-yl)-5-nitro-benzoate Openeye Name: methyl 3-(1,3-benzothiazol-2-yl)-5-nitro-benzoate CAS Name: 3-(1,3-benzothiazol-2-yl)-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(1,3-benzothiazol-2-yl)-5-nitrobenzoate Traditional Name: 3-(1,3-benzothiazol-2-yl)-5-nitro-benzoic acid methyl ester Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=NC3=CC=CC=C3S2)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S/c1-21-15(18)10-6-9(7-11(8-10)17(19)20)14-16-12-4-2-3-5-13(12)22-14/h2-8H,1H3