1-cyanobutyl ethanoate; nitrobenzene

Systemtic Name: 1-cyanobutyl ethanoate; nitrobenzene Openeye Name: 1-cyanobutyl acetate; nitrobenzene CAS Name: acetic acid 1-cyanobutyl ester; nitrobenzene IUPAC Name: 1-cyanobutyl acetate; nitrobenzene Traditional Name: acetic acid 1-cyanobutyl ester; nitrobenzene Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO2.C6H5NO2/c1-3-4-7(5-8)10-6(2)9;8-7(9)6-4-2-1-3-5-6/h7H,3-4H2,1-2H3;1-5H