1-(1-but-3-yn-2-yloxy-2-nitro-ethyl)-2-chloranyl-benzene

Systemtic Name: 1-(1-but-3-yn-2-yloxy-2-nitro-ethyl)-2-chloranyl-benzene Openeye Name: 1-chloro-2-[1-(1-methylprop-2-ynoxy)-2-nitro-ethyl]benzene CAS Name: 1-(1-but-3-yn-2-yloxy-2-nitroethyl)-2-chlorobenzene IUPAC Name: 1-(1-but-3-yn-2-yloxy-2-nitroethyl)-2-chlorobenzene Traditional Name: 1-chloro-2-[1-(1-methylprop-2-ynoxy)-2-nitro-ethyl]benzene Formula: C12H12ClNO3 MolecularWeight: 253.68158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#C)OC(C[N+](=O)[O-])C1=CC=CC=C1Cl

Isomeric SMILES

CC(C#C)OC(C[N+](=O)[O-])C1=CC=CC=C1Cl

InChI

InChI=1S/C12H12ClNO3/c1-3-9(2)17-12(8-14(15)16)10-6-4-5-7-11(10)13/h1,4-7,9,12H,8H2,2H3