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

Systemtic Name: (4-phenylphenyl)methyl 5-nitrothiophene-2-carboxylate Openeye Name: (4-phenylphenyl)methyl 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid (4-phenylphenyl)methyl ester IUPAC Name: (4-phenylphenyl)methyl 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid (4-phenylbenzyl) ester Formula: C18H13NO4S MolecularWeight: 339.36512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H13NO4S/c20-18(16-10-11-17(24-16)19(21)22)23-12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2