ditert-butyl (Z)-2-[(E)-4-oxidanylidene-4-phenylazanyl-but-2-en-2-yl]but-2-enedioate

Systemtic Name: ditert-butyl (Z)-2-[(E)-4-oxidanylidene-4-phenylazanyl-but-2-en-2-yl]but-2-enedioate Openeye Name: ditert-butyl (Z)-2-[(E)-3-anilino-1-methyl-3-oxo-prop-1-enyl]but-2-enedioate CAS Name: (Z)-2-[(E)-4-anilino-4-oxobut-2-en-2-yl]-2-butenedioic acid ditert-butyl ester IUPAC Name: ditert-butyl (Z)-2-[(E)-4-anilino-4-oxobut-2-en-2-yl]but-2-enedioate Traditional Name: (Z)-2-[(E)-3-anilino-3-keto-1-methyl-prop-1-enyl]but-2-enedioic acid ditert-butyl ester Formula: C22H29NO5 MolecularWeight: 387.46936

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)NC1=CC=CC=C1)C(=CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

C/C(=C\C(=O)NC1=CC=CC=C1)/C(=C/C(=O)OC(C)(C)C)/C(=O)OC(C)(C)C

InChI

InChI=1S/C22H29NO5/c1-15(13-18(24)23-16-11-9-8-10-12-16)17(20(26)28-22(5,6)7)14-19(25)27-21(2,3)4/h8-14H,1-7H3,(H,23,24)/b15-13+,17-14-