3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methyl-benzoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methyl-benzoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methyl-benzoic acid CAS Name: 3-[[(1,3-benzodioxol-5-ylamino)-oxomethyl]amino]-4-methylbenzoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methylbenzoic acid Traditional Name: 3-(1,3-benzodioxol-5-ylcarbamoylamino)-4-methyl-benzoic acid Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H14N2O5/c1-9-2-3-10(15(19)20)6-12(9)18-16(21)17-11-4-5-13-14(7-11)23-8-22-13/h2-7H,8H2,1H3,(H,19,20)(H2,17,18,21)