(2-methoxy-4-nitro-phenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (2-methoxy-4-nitro-phenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (2-methoxy-4-nitro-phenyl) 2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: 3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (2-methoxy-4-nitrophenyl) ester IUPAC Name: (2-methoxy-4-nitrophenyl) 3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-methyl-valeric acid (2-methoxy-4-nitro-phenyl) ester Formula: C21H24N2O7 MolecularWeight: 416.42446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H24N2O7/c1-4-14(2)19(22-21(25)29-13-15-8-6-5-7-9-15)20(24)30-17-11-10-16(23(26)27)12-18(17)28-3/h5-12,14,19H,4,13H2,1-3H3,(H,22,25)