[(1R)-1-(3-nitrophenyl)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate

Systemtic Name: [(1R)-1-(3-nitrophenyl)ethyl] 7-chloranyl-1,3-benzodioxole-5-carboxylate Openeye Name: [(1R)-1-(3-nitrophenyl)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate CAS Name: 7-chloro-1,3-benzodioxole-5-carboxylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester IUPAC Name: [(1R)-1-(3-nitrophenyl)ethyl] 7-chloro-1,3-benzodioxole-5-carboxylate Traditional Name: 7-chloro-piperonylic acid [(1R)-1-(3-nitrophenyl)ethyl] ester Formula: C16H12ClNO6 MolecularWeight: 349.72258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

Isomeric SMILES

C[C@H](C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC3=C(C(=C2)Cl)OCO3

InChI

InChI=1S/C16H12ClNO6/c1-9(10-3-2-4-12(5-10)18(20)21)24-16(19)11-6-13(17)15-14(7-11)22-8-23-15/h2-7,9H,8H2,1H3/t9-/m1/s1