3-[[4-(1-hydroxyethyl)-2-nitro-phenyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-(1-hydroxyethyl)-2-nitro-phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[4-(1-hydroxyethyl)-N-methyl-2-nitro-anilino]propanenitrile CAS Name: 3-[4-(1-hydroxyethyl)-N-methyl-2-nitroanilino]propanenitrile IUPAC Name: 3-[4-(1-hydroxyethyl)-N-methyl-2-nitroanilino]propanenitrile Traditional Name: 3-[4-(1-hydroxyethyl)-N-methyl-2-nitro-anilino]propionitrile Formula: C12H15N3O3 MolecularWeight: 249.2658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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