(E)-2-benzamido-3-(6-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-(6-chloranyl-1,3-benzodioxol-5-yl)prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enoic acid CAS Name: (E)-2-benzamido-3-(6-chloro-1,3-benzodioxol-5-yl)-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-(6-chloro-1,3-benzodioxol-5-yl)prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-(6-chloro-1,3-benzodioxol-5-yl)acrylic acid Formula: C17H12ClNO5 MolecularWeight: 345.73388

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=C(C(=O)O)NC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=C(\C(=O)O)/NC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H12ClNO5/c18-12-8-15-14(23-9-24-15)7-11(12)6-13(17(21)22)19-16(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)(H,21,22)/b13-6+