methyl 1-[(3,5-dimethylphenyl)-methanoyl-amino]-1,2,3,4-tetrazole-5-carboxylate

Systemtic Name: methyl 1-[(3,5-dimethylphenyl)-methanoyl-amino]-1,2,3,4-tetrazole-5-carboxylate Openeye Name: methyl 1-(N-formyl-3,5-dimethyl-anilino)tetrazole-5-carboxylate CAS Name: 1-(N-formyl-3,5-dimethylanilino)-5-tetrazolecarboxylic acid methyl ester IUPAC Name: methyl 1-(N-formyl-3,5-dimethylanilino)tetrazole-5-carboxylate Traditional Name: 1-(N-formyl-3,5-dimethyl-anilino)tetrazole-5-carboxylic acid methyl ester Formula: C12H13N5O3 MolecularWeight: 275.26332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(C=O)N2C(=NN=N2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC(=C1)N(C=O)N2C(=NN=N2)C(=O)OC)C

InChI

InChI=1S/C12H13N5O3/c1-8-4-9(2)6-10(5-8)16(7-18)17-11(12(19)20-3)13-14-15-17/h4-7H,1-3H3