ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxy-phenyl)propanoate

Systemtic Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxy-phenyl)propanoate Openeye Name: ethyl 3-(2-benzyloxy-5-nitro-phenyl)-2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(5-nitro-2-phenylmethoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(5-nitro-2-phenylmethoxyphenyl)propanoate Traditional Name: 3-(2-benzoxy-5-nitro-phenyl)-2-(tert-butoxycarbonylamino)propionic acid ethyl ester Formula: C23H28N2O7 MolecularWeight: 444.47762

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)[N+](=O)[O-])OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H28N2O7/c1-5-30-21(26)19(24-22(27)32-23(2,3)4)14-17-13-18(25(28)29)11-12-20(17)31-15-16-9-7-6-8-10-16/h6-13,19H,5,14-15H2,1-4H3,(H,24,27)