3-[(4-ethanoyl-2-nitro-phenyl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(4-ethanoyl-2-nitro-phenyl)-methyl-amino]propanenitrile Openeye Name: 3-(4-acetyl-N-methyl-2-nitro-anilino)propanenitrile CAS Name: 3-(4-acetyl-N-methyl-2-nitroanilino)propanenitrile IUPAC Name: 3-(4-acetyl-N-methyl-2-nitroanilino)propanenitrile Traditional Name: 3-(4-acetyl-N-methyl-2-nitro-anilino)propionitrile Formula: C12H13N3O3 MolecularWeight: 247.24992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O3/c1-9(16)10-4-5-11(12(8-10)15(17)18)14(2)7-3-6-13/h4-5,8H,3,7H2,1-2H3