[2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-[(3-bromophenyl)amino]-2-oxidanylidene-ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(3-bromoanilino)-2-oxo-ethyl] 4-(3-ethoxy-4-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid [2-(3-bromoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-bromoanilino)-2-oxoethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-4-keto-butyric acid [2-(3-bromoanilino)-2-keto-ethyl] ester Formula: C20H20BrNO6 MolecularWeight: 450.2799

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)Br)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=CC(=CC=C2)Br)O

InChI

InChI=1S/C20H20BrNO6/c1-2-27-18-10-13(6-7-17(18)24)16(23)8-9-20(26)28-12-19(25)22-15-5-3-4-14(21)11-15/h3-7,10-11,24H,2,8-9,12H2,1H3,(H,22,25)