dimethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H17NO7 MolecularWeight: 383.35148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)C=CC2=CC3=C(C=C2)OCO3)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C(=O)OC

InChI

InChI=1S/C20H17NO7/c1-25-19(23)13-8-14(20(24)26-2)10-15(9-13)21-18(22)6-4-12-3-5-16-17(7-12)28-11-27-16/h3-10H,11H2,1-2H3,(H,21,22)/b6-4+