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

Systemtic Name: N-[2-[(2-bromophenyl)amino]-2-oxidanylidene-ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-ethanamide Openeye Name: N-[2-(2-bromoanilino)-2-oxo-ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-acetamide CAS Name: N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,5-dimethyl-4-nitro-1-pyrazolyl)-N-methylacetamide IUPAC Name: N-[2-(2-bromoanilino)-2-oxoethyl]-2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-methylacetamide Traditional Name: N-[2-(2-bromoanilino)-2-keto-ethyl]-2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)-N-methyl-acetamide Formula: C16H18BrN5O4 MolecularWeight: 424.24922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)N(C)CC(=O)NC2=CC=CC=C2Br)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N(C)CC(=O)NC2=CC=CC=C2Br)C)[N+](=O)[O-]

InChI

InChI=1S/C16H18BrN5O4/c1-10-16(22(25)26)11(2)21(19-10)9-15(24)20(3)8-14(23)18-13-7-5-4-6-12(13)17/h4-7H,8-9H2,1-3H3,(H,18,23)