2-[[1-(4-bromophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid

Systemtic Name: 2-[[1-(4-bromophenyl)-5-oxidanylidene-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-bromophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-bromophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-bromophenyl)-5-oxo-3-propyl-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-bromophenyl)-5-keto-3-propyl-2-pyrazolin-4-yl]methyl]-3-(4-nitrophenyl)acrylic acid Formula: C22H20BrN3O5 MolecularWeight: 486.3153

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCCC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H20BrN3O5/c1-2-3-20-19(21(27)25(24-20)17-10-6-16(23)7-11-17)13-15(22(28)29)12-14-4-8-18(9-5-14)26(30)31/h4-12,19H,2-3,13H2,1H3,(H,28,29)