4-(4-heptoxy-3-nitro-phenyl)benzenecarbonitrile

Systemtic Name: 4-(4-heptoxy-3-nitro-phenyl)benzenecarbonitrile Openeye Name: 4-(4-heptoxy-3-nitro-phenyl)benzonitrile CAS Name: 4-(4-heptoxy-3-nitrophenyl)benzonitrile IUPAC Name: 4-(4-heptoxy-3-nitrophenyl)benzonitrile Traditional Name: 4-(4-heptoxy-3-nitro-phenyl)benzonitrile Formula: C20H22N2O3 MolecularWeight: 338.40028

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O3/c1-2-3-4-5-6-13-25-20-12-11-18(14-19(20)22(23)24)17-9-7-16(15-21)8-10-17/h7-12,14H,2-6,13H2,1H3