2-[[(3S)-1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]ethanenitrile

Systemtic Name: 2-[[(3S)-1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]amino]ethanenitrile Openeye Name: 2-[[(3S)-1-(4-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]amino]acetonitrile CAS Name: 2-[[(3S)-1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]amino]acetonitrile IUPAC Name: 2-[[(3S)-1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]amino]acetonitrile Traditional Name: 2-[[(3S)-1-(4-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]amino]acetonitrile Formula: C16H19N3O3 MolecularWeight: 301.34036

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)NCC#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)NCC#N

InChI

InChI=1S/C16H19N3O3/c1-2-3-10-22-13-6-4-12(5-7-13)19-15(20)11-14(16(19)21)18-9-8-17/h4-7,14,18H,2-3,9-11H2,1H3/t14-/m0/s1