2-[cyanomethyl-(4-ethanoyl-2-nitro-phenyl)amino]ethanenitrile

Systemtic Name: 2-[cyanomethyl-(4-ethanoyl-2-nitro-phenyl)amino]ethanenitrile Openeye Name: 2-[4-acetyl-N-(cyanomethyl)-2-nitro-anilino]acetonitrile CAS Name: 2-[4-acetyl-N-(cyanomethyl)-2-nitroanilino]acetonitrile IUPAC Name: 2-[4-acetyl-N-(cyanomethyl)-2-nitroanilino]acetonitrile Traditional Name: 2-[4-acetyl-N-(cyanomethyl)-2-nitro-anilino]acetonitrile Formula: C12H10N4O3 MolecularWeight: 258.2328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10N4O3/c1-9(17)10-2-3-11(12(8-10)16(18)19)15(6-4-13)7-5-14/h2-3,8H,6-7H2,1H3