(phenylmethyl) (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: (phenylmethyl) (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)prop-2-enoate Openeye Name: benzyl (Z)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (Z)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(4-nitrophenyl)-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (Z)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (Z)-2-(tert-butoxycarbonylamino)-3-(4-nitrophenyl)acrylic acid benzyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N/C(=C\C1=CC=C(C=C1)[N+](=O)[O-])/C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O6/c1-21(2,3)29-20(25)22-18(13-15-9-11-17(12-10-15)23(26)27)19(24)28-14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,22,25)/b18-13-