tert-butyl (E)-3-[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]-2-methyl-prop-2-enoate

Systemtic Name: tert-butyl (E)-3-[8-chloranyl-3-methoxy-2,5-bis(oxidanylidene)-1H-1-benzazepin-4-yl]-2-methyl-prop-2-enoate Openeye Name: tert-butyl (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-2-methyl-prop-2-enoate CAS Name: (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-2-methyl-2-propenoic acid tert-butyl ester IUPAC Name: tert-butyl (E)-3-(8-chloro-3-methoxy-2,5-dioxo-1H-1-benzazepin-4-yl)-2-methylprop-2-enoate Traditional Name: (E)-3-(8-chloro-2,5-diketo-3-methoxy-1H-1-benzazepin-4-yl)-2-methyl-acrylic acid tert-butyl ester Formula: C19H20ClNO5 MolecularWeight: 377.8188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C(=O)NC2=C(C1=O)C=CC(=C2)Cl)OC)C(=O)OC(C)(C)C

Isomeric SMILES

C/C(=C\C1=C(C(=O)NC2=C(C1=O)C=CC(=C2)Cl)OC)/C(=O)OC(C)(C)C

InChI

InChI=1S/C19H20ClNO5/c1-10(18(24)26-19(2,3)4)8-13-15(22)12-7-6-11(20)9-14(12)21-17(23)16(13)25-5/h6-9H,1-5H3,(H,21,23)/b10-8+