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

Systemtic Name: ethyl (2S)-4-methyl-2-[(4-nitro-2-phenylmethoxy-phenyl)carbonylamino]pentanoate Openeye Name: ethyl (2S)-2-[(2-benzyloxy-4-nitro-benzoyl)amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[[(4-nitro-2-phenylmethoxyphenyl)-oxomethyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-methyl-2-[(4-nitro-2-phenylmethoxybenzoyl)amino]pentanoate Traditional Name: (2S)-2-[(2-benzoxy-4-nitro-benzoyl)amino]-4-methyl-valeric acid ethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](CC(C)C)NC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6/c1-4-29-22(26)19(12-15(2)3)23-21(25)18-11-10-17(24(27)28)13-20(18)30-14-16-8-6-5-7-9-16/h5-11,13,15,19H,4,12,14H2,1-3H3,(H,23,25)/t19-/m0/s1