(1-but-3-ynoxy-2-nitro-ethyl)benzene

Systemtic Name: (1-but-3-ynoxy-2-nitro-ethyl)benzene Openeye Name: (1-but-3-ynoxy-2-nitro-ethyl)benzene CAS Name: (1-but-3-ynoxy-2-nitroethyl)benzene IUPAC Name: (1-but-3-ynoxy-2-nitroethyl)benzene Traditional Name: (1-but-3-ynoxy-2-nitro-ethyl)benzene Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO3/c1-2-3-9-16-12(10-13(14)15)11-7-5-4-6-8-11/h1,4-8,12H,3,9-10H2