ethyl 4-[[(E)-1-(4-bromophenyl)-1-oxidanylidene-pent-2-en-3-yl]amino]benzoate

Systemtic Name: ethyl 4-[[(E)-1-(4-bromophenyl)-1-oxidanylidene-pent-2-en-3-yl]amino]benzoate Openeye Name: ethyl 4-[[(E)-3-(4-bromophenyl)-1-ethyl-3-oxo-prop-1-enyl]amino]benzoate CAS Name: 4-[[(E)-1-(4-bromophenyl)-1-oxopent-2-en-3-yl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-(4-bromophenyl)-1-oxopent-2-en-3-yl]amino]benzoate Traditional Name: 4-[[(E)-3-(4-bromophenyl)-1-ethyl-3-keto-prop-1-enyl]amino]benzoic acid ethyl ester Formula: C20H20BrNO3 MolecularWeight: 402.2817

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(=O)C1=CC=C(C=C1)Br)NC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CC/C(=C\C(=O)C1=CC=C(C=C1)Br)/NC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C20H20BrNO3/c1-3-17(13-19(23)14-5-9-16(21)10-6-14)22-18-11-7-15(8-12-18)20(24)25-4-2/h5-13,22H,3-4H2,1-2H3/b17-13+