4-[1-(3-bromophenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one

Systemtic Name: 4-[1-(3-bromophenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one Openeye Name: 4-[1-(3-bromophenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one CAS Name: 4-[1-(3-bromophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one IUPAC Name: 4-[1-(3-bromophenyl)-2-nitroethyl]-5-(2-hydroxyphenyl)-1,2-dihydropyrazol-3-one Traditional Name: 4-[1-(3-bromophenyl)-2-nitro-ethyl]-5-(2-hydroxyphenyl)-3-pyrazolin-3-one Formula: C17H14BrN3O4 MolecularWeight: 404.21476

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=C(C(=O)NN2)C(C[N+](=O)[O-])C3=CC(=CC=C3)Br)O

Isomeric SMILES

C1=CC=C(C(=C1)C2=C(C(=O)NN2)C(C[N+](=O)[O-])C3=CC(=CC=C3)Br)O

InChI

InChI=1S/C17H14BrN3O4/c18-11-5-3-4-10(8-11)13(9-21(24)25)15-16(19-20-17(15)23)12-6-1-2-7-14(12)22/h1-8,13,22H,9H2,(H2,19,20,23)