(2S)-2-azanyl-N-[(3-nitrophenyl)methyl]butanediamide

Systemtic Name: (2S)-2-azanyl-N-[(3-nitrophenyl)methyl]butanediamide Openeye Name: (2S)-2-amino-N-[(3-nitrophenyl)methyl]butanediamide CAS Name: (2S)-2-amino-N-[(3-nitrophenyl)methyl]butanediamide IUPAC Name: (2S)-2-amino-N-[(3-nitrophenyl)methyl]butanediamide Traditional Name: (2S)-2-amino-N-(3-nitrobenzyl)succinamide Formula: C11H14N4O4 MolecularWeight: 266.25326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)C(CC(=O)N)N

Isomeric SMILES

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

InChI

InChI=1S/C11H14N4O4/c12-9(5-10(13)16)11(17)14-6-7-2-1-3-8(4-7)15(18)19/h1-4,9H,5-6,12H2,(H2,13,16)(H,14,17)/t9-/m0/s1