(4-nitrophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C16H10N2O6S MolecularWeight: 358.3254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1COC(=O)C2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H10N2O6S/c19-16(24-9-10-1-3-12(4-2-10)17(20)21)15-8-11-7-13(18(22)23)5-6-14(11)25-15/h1-8H,9H2