diethyl 2-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanedioate

Systemtic Name: diethyl 2-[[(E)-3-(7-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanedioate Openeye Name: diethyl 2-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanedioate CAS Name: 2-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanedioate Traditional Name: 2-[[(E)-3-(7-chloro-1,3-benzodioxol-5-yl)acryloyl]amino]malonic acid diethyl ester Formula: C17H18ClNO7 MolecularWeight: 383.78032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C=CC1=CC2=C(C(=C1)Cl)OCO2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)/C=C/C1=CC2=C(C(=C1)Cl)OCO2

InChI

InChI=1S/C17H18ClNO7/c1-3-23-16(21)14(17(22)24-4-2)19-13(20)6-5-10-7-11(18)15-12(8-10)25-9-26-15/h5-8,14H,3-4,9H2,1-2H3,(H,19,20)/b6-5+