(2S)-N-[(2S)-2-azanylpropanoyl]-1-(4-nitrophenyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-2-azanylpropanoyl]-1-(4-nitrophenyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2S)-2-aminopropanoyl]-1-(4-nitrophenyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-2-amino-1-oxopropyl]-1-(4-nitrophenyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-2-aminopropanoyl]-1-(4-nitrophenyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(2S)-2-aminopropanoyl]-1-(4-nitrophenyl)pyrrolidine-2-carboxamide Formula: C14H18N4O4 MolecularWeight: 306.31712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)C1CCCN1C2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C14H18N4O4/c1-9(15)13(19)16-14(20)12-3-2-8-17(12)10-4-6-11(7-5-10)18(21)22/h4-7,9,12H,2-3,8,15H2,1H3,(H,16,19,20)/t9-,12-/m0/s1