pyridin-2-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: pyridin-2-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: 2-pyridylmethyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid 2-pyridylmethyl ester Formula: C15H10N2O4S MolecularWeight: 314.3159

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=NC(=C1)COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H10N2O4S/c18-15(21-9-11-3-1-2-6-16-11)14-8-10-7-12(17(19)20)4-5-13(10)22-14/h1-8H,9H2