(2S,3S)-3-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoate

Systemtic Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoate Openeye Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoate CAS Name: (2S,3S)-3-methyl-2-[[(3-nitroanilino)-oxomethyl]amino]pentanoate IUPAC Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)carbamoylamino]pentanoate Traditional Name: (2S,3S)-3-methyl-2-[(3-nitrophenyl)carbamoylamino]valerate Formula: C13H16N3O5- MolecularWeight: 294.28324

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-3-8(2)11(12(17)18)15-13(19)14-9-5-4-6-10(7-9)16(20)21/h4-8,11H,3H2,1-2H3,(H,17,18)(H2,14,15,19)/p-1/t8-,11-/m0/s1