3-[(2-methoxy-5-nitro-phenyl)methyl-methyl-amino]propanenitrile

Systemtic Name: 3-[(2-methoxy-5-nitro-phenyl)methyl-methyl-amino]propanenitrile Openeye Name: 3-[(2-methoxy-5-nitro-phenyl)methyl-methyl-amino]propanenitrile CAS Name: 3-[(2-methoxy-5-nitrophenyl)methyl-methylamino]propanenitrile IUPAC Name: 3-[(2-methoxy-5-nitrophenyl)methyl-methylamino]propanenitrile Traditional Name: 3-[(2-methoxy-5-nitro-benzyl)-methyl-amino]propionitrile Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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