propan-2-yl 4-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]benzoate

Systemtic Name: propan-2-yl 4-[2-(4-nitro-2-prop-2-enyl-phenoxy)ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]benzoate CAS Name: 4-[[2-(4-nitro-2-prop-2-enylphenoxy)-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-(4-nitro-2-prop-2-enylphenoxy)acetyl]amino]benzoate Traditional Name: 4-[[2-(2-allyl-4-nitro-phenoxy)acetyl]amino]benzoic acid isopropyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)COC2=C(C=C(C=C2)[N+](=O)[O-])CC=C

InChI

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