3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate

Systemtic Name: 3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate Openeye Name: 3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate CAS Name: 3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]propanoate IUPAC Name: 3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]propanoate Traditional Name: 3-[[(E)-2-benzamido-3-(1,3-benzodioxol-5-yl)acryloyl]amino]propionate Formula: C20H17N2O6- MolecularWeight: 381.35878

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=C(C(=O)NCCC(=O)[O-])NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C(\C(=O)NCCC(=O)[O-])/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O6/c23-18(24)8-9-21-20(26)15(22-19(25)14-4-2-1-3-5-14)10-13-6-7-16-17(11-13)28-12-27-16/h1-7,10-11H,8-9,12H2,(H,21,26)(H,22,25)(H,23,24)/p-1/b15-10+