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

Systemtic Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Openeye Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid CAS Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)-2-propenoic acid IUPAC Name: 2-[[1-(4-bromophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]methyl]-3-(4-nitrophenyl)prop-2-enoic acid Traditional Name: 2-[[1-(4-bromophenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]methyl]-3-(4-nitrophenyl)acrylic acid Formula: C20H16BrN3O5 MolecularWeight: 458.26214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN(C(=O)C1CC(=CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C20H16BrN3O5/c1-12-18(19(25)23(22-12)16-8-4-15(21)5-9-16)11-14(20(26)27)10-13-2-6-17(7-3-13)24(28)29/h2-10,18H,11H2,1H3,(H,26,27)