3-[(2,4-dinitrophenyl)-methyl-amino]propanenitrile

Systemtic Name: 3-[(2,4-dinitrophenyl)-methyl-amino]propanenitrile Openeye Name: 3-(N-methyl-2,4-dinitro-anilino)propanenitrile CAS Name: 3-(N-methyl-2,4-dinitroanilino)propanenitrile IUPAC Name: 3-(N-methyl-2,4-dinitroanilino)propanenitrile Traditional Name: 3-(N-methyl-2,4-dinitro-anilino)propionitrile Formula: C10H10N4O4 MolecularWeight: 250.2108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10N4O4/c1-12(6-2-5-11)9-4-3-8(13(15)16)7-10(9)14(17)18/h3-4,7H,2,6H2,1H3