ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(3-nitrophenyl)phenyl]propanoate

Systemtic Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(3-nitrophenyl)phenyl]propanoate Openeye Name: ethyl 2-(tert-butoxycarbonylamino)-3-[4-(3-nitrophenyl)phenyl]propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(3-nitrophenyl)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(3-nitrophenyl)phenyl]propanoate Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(3-nitrophenyl)phenyl]propionic acid ethyl ester Formula: C22H26N2O6 MolecularWeight: 414.45164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6/c1-5-29-20(25)19(23-21(26)30-22(2,3)4)13-15-9-11-16(12-10-15)17-7-6-8-18(14-17)24(27)28/h6-12,14,19H,5,13H2,1-4H3,(H,23,26)