O4-tert-butyl O1-ethyl (2E)-2-[(3-bromophenyl)methylidene]butanedioate

Systemtic Name: O4-tert-butyl O1-ethyl (2E)-2-[(3-bromophenyl)methylidene]butanedioate Openeye Name: O4-tert-butyl O1-ethyl (2E)-2-[(3-bromophenyl)methylene]butanedioate CAS Name: (2E)-2-[(3-bromophenyl)methylidene]butanedioic acid O4-tert-butyl ester O1-ethyl ester IUPAC Name: 4-O-tert-butyl 1-O-ethyl (2E)-2-[(3-bromophenyl)methylidene]butanedioate Traditional Name: (2E)-2-(3-bromobenzylidene)succinic acid O4-tert-butyl ester O1-ethyl ester Formula: C17H21BrO4 MolecularWeight: 369.25024

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC=C1)Br)CC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC=C1)Br)/CC(=O)OC(C)(C)C

InChI

InChI=1S/C17H21BrO4/c1-5-21-16(20)13(11-15(19)22-17(2,3)4)9-12-7-6-8-14(18)10-12/h6-10H,5,11H2,1-4H3/b13-9+