N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-prop-2-enoyl-carbamoyl]-2-nitro-benzamide

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]-prop-2-enoyl-carbamoyl]-2-nitro-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]-prop-2-enoyl-carbamoyl]-2-nitro-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methyl-N-(1-oxoprop-2-enyl)anilino]-oxomethyl]-2-nitrobenzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]-prop-2-enoylcarbamoyl]-2-nitrobenzamide Traditional Name: N-[acryloyl-[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzamide Formula: C22H16BrN5O6 MolecularWeight: 526.29634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C(=O)C=C)C(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Br

Isomeric SMILES

CC1=C(C=CC(=C1)N(C(=O)C=C)C(=O)NC(=O)C2=CC=CC=C2[N+](=O)[O-])OC3=NC=C(C=N3)Br

InChI

InChI=1S/C22H16BrN5O6/c1-3-19(29)27(22(31)26-20(30)16-6-4-5-7-17(16)28(32)33)15-8-9-18(13(2)10-15)34-21-24-11-14(23)12-25-21/h3-12H,1H2,2H3,(H,26,30,31)