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

Systemtic Name: ethyl 2-[4-[(2-bromophenyl)carbonylamino]-3,5-dimethyl-pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(2-bromobenzoyl)amino]-3,5-dimethyl-pyrazol-1-yl]acetate CAS Name: 2-[4-[[(2-bromophenyl)-oxomethyl]amino]-3,5-dimethyl-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(2-bromobenzoyl)amino]-3,5-dimethylpyrazol-1-yl]acetate Traditional Name: 2-[4-[(2-bromobenzoyl)amino]-3,5-dimethyl-pyrazol-1-yl]acetic acid ethyl ester Formula: C16H18BrN3O3 MolecularWeight: 380.23642

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC=CC=C2Br)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C)NC(=O)C2=CC=CC=C2Br)C

InChI

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