methyl N-[[2-bromanyl-5-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]phenyl]methyl]carbamate

Systemtic Name: methyl N-[[2-bromanyl-5-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]phenyl]methyl]carbamate Openeye Name: methyl N-[[2-bromo-5-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)phenyl]methyl]carbamate CAS Name: N-[[2-bromo-5-[(2-methyl-3-oxo-1H-pyrazol-4-yl)-oxomethyl]phenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[2-bromo-5-(2-methyl-3-oxo-1H-pyrazole-4-carbonyl)phenyl]methyl]carbamate Traditional Name: N-[2-bromo-5-(5-keto-1-methyl-3-pyrazoline-4-carbonyl)benzyl]carbamic acid methyl ester Formula: C14H14BrN3O4 MolecularWeight: 368.18266

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=CN1)C(=O)C2=CC(=C(C=C2)Br)CNC(=O)OC

Isomeric SMILES

CN1C(=O)C(=CN1)C(=O)C2=CC(=C(C=C2)Br)CNC(=O)OC

InChI

InChI=1S/C14H14BrN3O4/c1-18-13(20)10(7-17-18)12(19)8-3-4-11(15)9(5-8)6-16-14(21)22-2/h3-5,7,17H,6H2,1-2H3,(H,16,21)