propan-2-yl 4-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(E)-3-(4-nitrophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[(E)-3-(4-nitrophenyl)prop-2-enoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(E)-3-(4-nitrophenyl)acryloyl]oxyacetyl]amino]benzoic acid isopropyl ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H20N2O7/c1-14(2)30-21(26)16-6-8-17(9-7-16)22-19(24)13-29-20(25)12-5-15-3-10-18(11-4-15)23(27)28/h3-12,14H,13H2,1-2H3,(H,22,24)/b12-5+