4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; (4-nitrophenyl) ethanoate

Systemtic Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; (4-nitrophenyl) ethanoate Openeye Name: 2-(benzyloxycarbonylamino)-4-methyl-pentanoic acid; (4-nitrophenyl) acetate CAS Name: acetic acid (4-nitrophenyl) ester; 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid; (4-nitrophenyl) acetate Traditional Name: acetic acid (4-nitrophenyl) ester; 2-(benzyloxycarbonylamino)-4-methyl-valeric acid Formula: C22H26N2O8 MolecularWeight: 446.45044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1.CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H19NO4.C8H7NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;1-6(10)13-8-4-2-7(3-5-8)9(11)12/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);2-5H,1H3