3-nitro-4-(oxan-4-ylamino)benzenecarbonitrile

Systemtic Name: 3-nitro-4-(oxan-4-ylamino)benzenecarbonitrile Openeye Name: 3-nitro-4-(tetrahydropyran-4-ylamino)benzonitrile CAS Name: 3-nitro-4-(4-oxanylamino)benzonitrile IUPAC Name: 3-nitro-4-(oxan-4-ylamino)benzonitrile Traditional Name: 3-nitro-4-(tetrahydropyran-4-ylamino)benzonitrile Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1COCCC1NC2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3/c13-8-9-1-2-11(12(7-9)15(16)17)14-10-3-5-18-6-4-10/h1-2,7,10,14H,3-6H2