(4-nitrophenyl) (E)-3-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate

Systemtic Name: (4-nitrophenyl) (E)-3-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate Openeye Name: (4-nitrophenyl) (E)-3-[3-(tert-butoxycarbonylamino)-4-methoxy-phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-2-propenoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) (E)-3-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(tert-butoxycarbonylamino)-4-methoxy-phenyl]acrylic acid (4-nitrophenyl) ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C=CC(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)/C=C/C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H22N2O7/c1-21(2,3)30-20(25)22-17-13-14(5-11-18(17)28-4)6-12-19(24)29-16-9-7-15(8-10-16)23(26)27/h5-13H,1-4H3,(H,22,25)/b12-6+