methyl 2-(1,3-benzothiazol-2-yl)-6-nitro-benzoate

Systemtic Name: methyl 2-(1,3-benzothiazol-2-yl)-6-nitro-benzoate Openeye Name: methyl 2-(1,3-benzothiazol-2-yl)-6-nitro-benzoate CAS Name: 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-(1,3-benzothiazol-2-yl)-6-nitrobenzoate Traditional Name: 2-(1,3-benzothiazol-2-yl)-6-nitro-benzoic acid methyl ester Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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