(phenylmethyl) 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (phenylmethyl) 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: benzyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid benzyl ester Formula: C16H11NO4S MolecularWeight: 313.32784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO4S/c18-16(21-10-11-4-2-1-3-5-11)15-9-12-8-13(17(19)20)6-7-14(12)22-15/h1-9H,10H2