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

Systemtic Name: 3-[methyl-[2-nitro-4-(phenylcarbonyl)phenyl]amino]propanenitrile Openeye Name: 3-(4-benzoyl-N-methyl-2-nitro-anilino)propanenitrile CAS Name: 3-(4-benzoyl-N-methyl-2-nitroanilino)propanenitrile IUPAC Name: 3-(4-benzoyl-N-methyl-2-nitroanilino)propanenitrile Traditional Name: 3-(4-benzoyl-N-methyl-2-nitro-anilino)propionitrile Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3/c1-19(11-5-10-18)15-9-8-14(12-16(15)20(22)23)17(21)13-6-3-2-4-7-13/h2-4,6-9,12H,5,11H2,1H3