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

Systemtic Name: 3-[(4-methoxy-3-nitro-phenyl)methyl-methyl-amino]propanenitrile Openeye Name: 3-[(4-methoxy-3-nitro-phenyl)methyl-methyl-amino]propanenitrile CAS Name: 3-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propanenitrile IUPAC Name: 3-[(4-methoxy-3-nitrophenyl)methyl-methylamino]propanenitrile Traditional Name: 3-[(4-methoxy-3-nitro-benzyl)-methyl-amino]propionitrile Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)CC1=CC(=C(C=C1)OC)[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)CC1=CC(=C(C=C1)OC)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O3/c1-14(7-3-6-13)9-10-4-5-12(18-2)11(8-10)15(16)17/h4-5,8H,3,7,9H2,1-2H3