3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-N-[(4-nitrophenyl)methyl]propanamide

Systemtic Name: 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-N-[(4-nitrophenyl)methyl]propanamide Openeye Name: 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-N-[(4-nitrophenyl)methyl]propanamide CAS Name: 3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-N-[(4-nitrophenyl)methyl]propanamide IUPAC Name: 3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-N-[(4-nitrophenyl)methyl]propanamide Traditional Name: 3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-N-(4-nitrobenzyl)propionamide Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNCCC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C#N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CNCCC(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])C#N

InChI

InChI=1S/C17H21N5O4/c18-10-15-2-1-9-21(15)17(24)12-19-8-7-16(23)20-11-13-3-5-14(6-4-13)22(25)26/h3-6,15,19H,1-2,7-9,11-12H2,(H,20,23)/t15-/m0/s1