(4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N-(2-nitrophenyl)carbamate

Systemtic Name: (4-bromanyl-2-methyl-5-oxidanylidene-1-phenyl-pyrazol-3-yl)methyl N-(2-nitrophenyl)carbamate Openeye Name: (4-bromo-2-methyl-5-oxo-1-phenyl-pyrazol-3-yl)methyl N-(2-nitrophenyl)carbamate CAS Name: N-(2-nitrophenyl)carbamic acid (4-bromo-2-methyl-5-oxo-1-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-bromo-2-methyl-5-oxo-1-phenylpyrazol-3-yl)methyl N-(2-nitrophenyl)carbamate Traditional Name: N-(2-nitrophenyl)carbamic acid (4-bromo-5-keto-2-methyl-1-phenyl-3-pyrazolin-3-yl)methyl ester Formula: C18H15BrN4O5 MolecularWeight: 447.2395

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CN1C(=C(C(=O)N1C2=CC=CC=C2)Br)COC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H15BrN4O5/c1-21-15(16(19)17(24)22(21)12-7-3-2-4-8-12)11-28-18(25)20-13-9-5-6-10-14(13)23(26)27/h2-10H,11H2,1H3,(H,20,25)