ethyl 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-2-oxidanylidene-ethanoate

Systemtic Name: ethyl 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-2-oxidanylidene-ethanoate Openeye Name: ethyl 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]amino]-2-oxo-acetate CAS Name: 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]amino]-2-oxoacetic acid ethyl ester IUPAC Name: ethyl 2-[[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]amino]-2-oxoacetate Traditional Name: 2-[[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]amino]-2-keto-acetic acid ethyl ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=O)NC1=C(N(N=C1C)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCOC(=O)C(=O)NC1=C(N(N=C1C)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C16H18BrN3O3/c1-4-23-16(22)15(21)18-14-10(2)19-20(11(14)3)9-12-5-7-13(17)8-6-12/h5-8H,4,9H2,1-3H3,(H,18,21)