(4-nitrophenyl)methyl 5-nitrothiophene-2-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (4-nitrophenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-nitrobenzyl) ester Formula: C12H8N2O6S MolecularWeight: 308.26672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8N2O6S/c15-12(10-5-6-11(21-10)14(18)19)20-7-8-1-3-9(4-2-8)13(16)17/h1-6H,7H2