[(E)-3-(cyclopropylamino)prop-2-enoyl] 4,5-bis(fluoranyl)-2-nitro-benzoate

Systemtic Name: [(E)-3-(cyclopropylamino)prop-2-enoyl] 4,5-bis(fluoranyl)-2-nitro-benzoate Openeye Name: [(E)-3-(cyclopropylamino)prop-2-enoyl] 4,5-difluoro-2-nitro-benzoate CAS Name: 4,5-difluoro-2-nitrobenzoic acid [(E)-3-(cyclopropylamino)-1-oxoprop-2-enyl] ester IUPAC Name: [(E)-3-(cyclopropylamino)prop-2-enoyl] 4,5-difluoro-2-nitrobenzoate Traditional Name: 4,5-difluoro-2-nitro-benzoic acid [(E)-3-(cyclopropylamino)acryloyl] ester Formula: C13H10F2N2O5 MolecularWeight: 312.225706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC=CC(=O)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)F

Isomeric SMILES

C1CC1N/C=C/C(=O)OC(=O)C2=CC(=C(C=C2[N+](=O)[O-])F)F

InChI

InChI=1S/C13H10F2N2O5/c14-9-5-8(11(17(20)21)6-10(9)15)13(19)22-12(18)3-4-16-7-1-2-7/h3-7,16H,1-2H2/b4-3+