4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-benzoic acid

Systemtic Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-benzoic acid Openeye Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methyl-benzoic acid CAS Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-methylbenzoic acid IUPAC Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-3-methylbenzoic acid Traditional Name: 4-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-3-methyl-benzoic acid Formula: C18H15NO5 MolecularWeight: 325.3154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H15NO5/c1-11-8-13(18(21)22)4-5-14(11)19-17(20)7-3-12-2-6-15-16(9-12)24-10-23-15/h2-9H,10H2,1H3,(H,19,20)(H,21,22)/b7-3+