[(1R)-1-(3-nitrophenyl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 5-nitrobenzothiophene-2-carboxylate CAS Name: 5-nitro-1-benzothiophene-2-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 5-nitro-1-benzothiophene-2-carboxylate Traditional Name: 5-nitrobenzothiophene-2-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C17H12N2O6S MolecularWeight: 372.35198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12N2O6S/c1-10(11-3-2-4-13(7-11)18(21)22)25-17(20)16-9-12-8-14(19(23)24)5-6-15(12)26-16/h2-10H,1H3/t10-/m1/s1