(2S)-2-acetamido-N-[(3-nitrophenyl)methyl]-3-oxidanyl-propanamide

Systemtic Name: (2S)-2-acetamido-N-[(3-nitrophenyl)methyl]-3-oxidanyl-propanamide Openeye Name: (2S)-2-acetamido-3-hydroxy-N-[(3-nitrophenyl)methyl]propanamide CAS Name: (2S)-2-acetamido-3-hydroxy-N-[(3-nitrophenyl)methyl]propanamide IUPAC Name: (2S)-2-acetamido-3-hydroxy-N-[(3-nitrophenyl)methyl]propanamide Traditional Name: (2S)-2-acetamido-3-hydroxy-N-(3-nitrobenzyl)propionamide Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CO)C(=O)NCC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N[C@@H](CO)C(=O)NCC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-8(17)14-11(7-16)12(18)13-6-9-3-2-4-10(5-9)15(19)20/h2-5,11,16H,6-7H2,1H3,(H,13,18)(H,14,17)/t11-/m0/s1