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

Systemtic Name: 3-[(2,4-dinitrophenyl)-(phenylmethyl)amino]propanenitrile Openeye Name: 3-(N-benzyl-2,4-dinitro-anilino)propanenitrile CAS Name: 3-(2,4-dinitro-N-(phenylmethyl)anilino)propanenitrile IUPAC Name: 3-(N-benzyl-2,4-dinitroanilino)propanenitrile Traditional Name: 3-(N-benzyl-2,4-dinitro-anilino)propionitrile Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O4/c17-9-4-10-18(12-13-5-2-1-3-6-13)15-8-7-14(19(21)22)11-16(15)20(23)24/h1-3,5-8,11H,4,10,12H2