2,4-dimethylbenzoic acid; methyl (NE)-N-[azanyl-(2-methyl-1-benzofuran-5-yl)methylidene]carbamate

Systemtic Name: 2,4-dimethylbenzoic acid; methyl (NE)-N-[azanyl-(2-methyl-1-benzofuran-5-yl)methylidene]carbamate Openeye Name: 2,4-dimethylbenzoic acid; methyl (NE)-N-[amino-(2-methylbenzofuran-5-yl)methylene]carbamate CAS Name: (NE)-N-[amino-(2-methyl-5-benzofuranyl)methylidene]carbamic acid methyl ester; 2,4-dimethylbenzoic acid IUPAC Name: 2,4-dimethylbenzoic acid; methyl (NE)-N-[amino-(2-methyl-1-benzofuran-5-yl)methylidene]carbamate Traditional Name: (NE)-N-[amino-(2-methylbenzofuran-5-yl)methylene]carbamic acid methyl ester; 2,4-xylic acid Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC2=C(O1)C=CC(=C2)C(=NC(=O)OC)N

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)O)C.CC1=CC2=C(O1)C=CC(=C2)/C(=N\C(=O)OC)/N

InChI

InChI=1S/C12H12N2O3.C9H10O2/c1-7-5-9-6-8(3-4-10(9)17-7)11(13)14-12(15)16-2;1-6-3-4-8(9(10)11)7(2)5-6/h3-6H,1-2H3,(H2,13,14,15);3-5H,1-2H3,(H,10,11)