(2S)-4-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[(3-methyl-4-nitro-phenyl)carbonylamino]pentanoate Openeye Name: (2S)-4-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[(3-methyl-4-nitrobenzoyl)amino]pentanoate Traditional Name: (2S)-4-methyl-2-[(3-methyl-4-nitro-benzoyl)amino]valerate Formula: C14H17N2O5- MolecularWeight: 293.29518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC(CC(C)C)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)N[C@@H](CC(C)C)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H18N2O5/c1-8(2)6-11(14(18)19)15-13(17)10-4-5-12(16(20)21)9(3)7-10/h4-5,7-8,11H,6H2,1-3H3,(H,15,17)(H,18,19)/p-1/t11-/m0/s1