3-nitro-4-pent-4-ynoxy-benzenecarbonitrile

Systemtic Name: 3-nitro-4-pent-4-ynoxy-benzenecarbonitrile Openeye Name: 3-nitro-4-pent-4-ynoxy-benzonitrile CAS Name: 3-nitro-4-pent-4-ynoxybenzonitrile IUPAC Name: 3-nitro-4-pent-4-ynoxybenzonitrile Traditional Name: 3-nitro-4-pent-4-ynoxy-benzonitrile Formula: C12H10N2O3 MolecularWeight: 230.2194

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Descriptors Computed from Structure

Canonical SMILES:

C#CCCCOC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

Isomeric SMILES

C#CCCCOC1=C(C=C(C=C1)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O3/c1-2-3-4-7-17-12-6-5-10(9-13)8-11(12)14(15)16/h1,5-6,8H,3-4,7H2