[5-(4-bromophenyl)-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone

Systemtic Name: [5-(4-bromophenyl)-3-ethyl-5-oxidanyl-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Openeye Name: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone CAS Name: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone IUPAC Name: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-4H-pyrazol-1-yl]-(3-nitrophenyl)methanone Traditional Name: [5-(4-bromophenyl)-3-ethyl-5-hydroxy-2-pyrazolin-1-yl]-(3-nitrophenyl)methanone Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NN(C(C1)(C2=CC=C(C=C2)Br)O)C(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H16BrN3O4/c1-2-15-11-18(24,13-6-8-14(19)9-7-13)21(20-15)17(23)12-4-3-5-16(10-12)22(25)26/h3-10,24H,2,11H2,1H3