(2S)-2-[ethoxy(methyl)phosphoryl]-3-(4-methoxyphenyl)-3-oxidanylidene-propanenitrile

Systemtic Name: (2S)-2-[ethoxy(methyl)phosphoryl]-3-(4-methoxyphenyl)-3-oxidanylidene-propanenitrile Openeye Name: (2S)-2-[ethoxy(methyl)phosphoryl]-3-(4-methoxyphenyl)-3-oxo-propanenitrile CAS Name: (2S)-2-[ethoxy(methyl)phosphoryl]-3-(4-methoxyphenyl)-3-oxopropanenitrile IUPAC Name: (2S)-2-[ethoxy(methyl)phosphoryl]-3-(4-methoxyphenyl)-3-oxopropanenitrile Traditional Name: (2S)-2-[ethoxy(methyl)phosphoryl]-3-keto-3-(4-methoxyphenyl)propionitrile Formula: C13H16NO4P MolecularWeight: 281.244201

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C)C(C#N)C(=O)C1=CC=C(C=C1)OC

Isomeric SMILES

CCO[P@](=O)(C)[C@@H](C#N)C(=O)C1=CC=C(C=C1)OC

InChI

InChI=1S/C13H16NO4P/c1-4-18-19(3,16)12(9-14)13(15)10-5-7-11(17-2)8-6-10/h5-8,12H,4H2,1-3H3/t12-,19+/m0/s1