4-methyl-3-(2-methylpropoxycarbonylamino)benzoate

Systemtic Name: 4-methyl-3-(2-methylpropoxycarbonylamino)benzoate Openeye Name: 3-(isobutoxycarbonylamino)-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-methylpropoxy(oxo)methyl]amino]benzoate IUPAC Name: 4-methyl-3-(2-methylpropoxycarbonylamino)benzoate Traditional Name: 3-(isobutoxycarbonylamino)-4-methyl-benzoate Formula: C13H16NO4- MolecularWeight: 250.27044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)OCC(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)[O-])NC(=O)OCC(C)C

InChI

InChI=1S/C13H17NO4/c1-8(2)7-18-13(17)14-11-6-10(12(15)16)5-4-9(11)3/h4-6,8H,7H2,1-3H3,(H,14,17)(H,15,16)/p-1