4-[(3S)-3-methylpiperidin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile

Systemtic Name: 4-[(3S)-3-methylpiperidin-1-yl]-5-nitro-benzene-1,2-dicarbonitrile Openeye Name: 4-[(3S)-3-methyl-1-piperidyl]-5-nitro-phthalonitrile CAS Name: 4-[(3S)-3-methyl-1-piperidinyl]-5-nitrobenzene-1,2-dicarbonitrile IUPAC Name: 4-[(3S)-3-methylpiperidin-1-yl]-5-nitrobenzene-1,2-dicarbonitrile Traditional Name: 4-[(3S)-3-methylpiperidino]-5-nitro-phthalonitrile Formula: C14H14N4O2 MolecularWeight: 270.28656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C(=C2)C#N)C#N)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O2/c1-10-3-2-4-17(9-10)13-5-11(7-15)12(8-16)6-14(13)18(19)20/h5-6,10H,2-4,9H2,1H3/t10-/m0/s1