3-(4-nitrophenyl)-3-oxidanyl-2-[[(E)-1-phenylethylideneamino]oxymethyl]propanenitrile

Systemtic Name: 3-(4-nitrophenyl)-3-oxidanyl-2-[[(E)-1-phenylethylideneamino]oxymethyl]propanenitrile Openeye Name: 3-hydroxy-3-(4-nitrophenyl)-2-[[(E)-1-phenylethylideneamino]oxymethyl]propanenitrile CAS Name: 3-hydroxy-3-(4-nitrophenyl)-2-[[(E)-1-phenylethylideneamino]oxymethyl]propanenitrile IUPAC Name: 3-hydroxy-3-(4-nitrophenyl)-2-[[(E)-1-phenylethylideneamino]oxymethyl]propanenitrile Traditional Name: 3-hydroxy-3-(4-nitrophenyl)-2-[[(E)-1-phenylethylideneamino]oxymethyl]propionitrile Formula: C18H17N3O4 MolecularWeight: 339.34528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C/C(=N\OCC(C#N)C(C1=CC=C(C=C1)[N+](=O)[O-])O)/C2=CC=CC=C2

InChI

InChI=1S/C18H17N3O4/c1-13(14-5-3-2-4-6-14)20-25-12-16(11-19)18(22)15-7-9-17(10-8-15)21(23)24/h2-10,16,18,22H,12H2,1H3/b20-13+