(E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)carbonylamino]prop-2-enoic acid

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methylphenyl)carbonylamino]prop-2-enoic acid Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methylbenzoyl)amino]prop-2-enoic acid CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[[(2-methylphenyl)-oxomethyl]amino]-2-propenoic acid IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-2-[(2-methylbenzoyl)amino]prop-2-enoic acid Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-2-(o-toluoylamino)acrylic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(=CC2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)N/C(=C/C2=CC3=C(C=C2)OCO3)/C(=O)O

InChI

InChI=1S/C18H15NO5/c1-11-4-2-3-5-13(11)17(20)19-14(18(21)22)8-12-6-7-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,20)(H,21,22)/b14-8+