4-[(3-cyanophenyl)methyl-methoxycarbonyl-amino]-3,5-dimethyl-pyrazole-1-carboxylic acid

Systemtic Name: 4-[(3-cyanophenyl)methyl-methoxycarbonyl-amino]-3,5-dimethyl-pyrazole-1-carboxylic acid Openeye Name: 4-[(3-cyanophenyl)methyl-methoxycarbonyl-amino]-3,5-dimethyl-pyrazole-1-carboxylic acid CAS Name: 4-[(3-cyanophenyl)methyl-methoxycarbonylamino]-3,5-dimethyl-1-pyrazolecarboxylic acid IUPAC Name: 4-[(3-cyanophenyl)methyl-methoxycarbonylamino]-3,5-dimethylpyrazole-1-carboxylic acid Traditional Name: 4-[carbomethoxy-(3-cyanobenzyl)amino]-3,5-dimethyl-pyrazole-1-carboxylic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C(=O)O)C)N(CC2=CC=CC(=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C(=O)O)C)N(CC2=CC=CC(=C2)C#N)C(=O)OC

InChI

InChI=1S/C16H16N4O4/c1-10-14(11(2)20(18-10)15(21)22)19(16(23)24-3)9-13-6-4-5-12(7-13)8-17/h4-7H,9H2,1-3H3,(H,21,22)