phenyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: phenyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: phenyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid phenyl ester IUPAC Name: phenyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid phenyl ester Formula: C15H9NO4S MolecularWeight: 299.30126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H9NO4S/c17-15(20-12-4-2-1-3-5-12)14-9-10-8-11(16(18)19)6-7-13(10)21-14/h1-9H