2-(4-bromanylpyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]butanamide

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-N-[1-(4-nitrophenyl)-1,3-bis(oxidanyl)propan-2-yl]butanamide Openeye Name: 2-(4-bromopyrazol-1-yl)-N-[2-hydroxy-1-(hydroxymethyl)-2-(4-nitrophenyl)ethyl]butanamide CAS Name: 2-(4-bromo-1-pyrazolyl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]butanamide IUPAC Name: 2-(4-bromopyrazol-1-yl)-N-[1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]butanamide Traditional Name: 2-(4-bromopyrazol-1-yl)-N-[2-hydroxy-1-methylol-2-(4-nitrophenyl)ethyl]butyramide Formula: C16H19BrN4O5 MolecularWeight: 427.24986

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CO)C(C1=CC=C(C=C1)[N+](=O)[O-])O)N2C=C(C=N2)Br

Isomeric SMILES

CCC(C(=O)NC(CO)C(C1=CC=C(C=C1)[N+](=O)[O-])O)N2C=C(C=N2)Br

InChI

InChI=1S/C16H19BrN4O5/c1-2-14(20-8-11(17)7-18-20)16(24)19-13(9-22)15(23)10-3-5-12(6-4-10)21(25)26/h3-8,13-15,22-23H,2,9H2,1H3,(H,19,24)