(2S)-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-pentanoate

Systemtic Name: (2S)-2-[(3,5-dinitrophenyl)carbonylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methylpentanoate Traditional Name: (2S)-2-[(3,5-dinitrobenzoyl)amino]-4-methyl-valerate Formula: C13H14N3O7- MolecularWeight: 324.26616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O7/c1-7(2)3-11(13(18)19)14-12(17)8-4-9(15(20)21)6-10(5-8)16(22)23/h4-7,11H,3H2,1-2H3,(H,14,17)(H,18,19)/p-1/t11-/m0/s1