2-[bis(prop-2-enyl)carbamoylamino]ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate

Systemtic Name: 2-[bis(prop-2-enyl)carbamoylamino]ethyl 5-[2-chloranyl-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate Openeye Name: 2-(diallylcarbamoylamino)ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate CAS Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid 2-[[[bis(prop-2-enyl)amino]-oxomethyl]amino]ethyl ester IUPAC Name: 2-[bis(prop-2-enyl)carbamoylamino]ethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate Traditional Name: 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoic acid 2-(diallylcarbamoylamino)ethyl ester Formula: C23H21ClF3N3O6 MolecularWeight: 527.87755

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(CC=C)C(=O)NCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

Isomeric SMILES

C=CCN(CC=C)C(=O)NCCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C23H21ClF3N3O6/c1-3-10-29(11-4-2)22(32)28-9-12-35-21(31)17-14-16(6-7-19(17)30(33)34)36-20-8-5-15(13-18(20)24)23(25,26)27/h3-8,13-14H,1-2,9-12H2,(H,28,32)