(2S,4S)-N-(4-methyl-3-nitro-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S,4S)-N-(4-methyl-3-nitro-phenyl)-4-oxidanyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S,4S)-4-hydroxy-N-(4-methyl-3-nitro-phenyl)pyrrolidin-1-ium-2-carboxamide CAS Name: (2S,4S)-4-hydroxy-N-(4-methyl-3-nitrophenyl)-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S,4S)-4-hydroxy-N-(4-methyl-3-nitrophenyl)pyrrolidin-1-ium-2-carboxamide Traditional Name: (2S,4S)-4-hydroxy-N-(4-methyl-3-nitro-phenyl)pyrrolidin-1-ium-2-carboxamide Formula: C12H16N3O4+ MolecularWeight: 266.27314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C2CC(C[NH2+]2)O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@@H]2C[C@@H](C[NH2+]2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O4/c1-7-2-3-8(4-11(7)15(18)19)14-12(17)10-5-9(16)6-13-10/h2-4,9-10,13,16H,5-6H2,1H3,(H,14,17)/p+1/t9-,10-/m0/s1