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

Systemtic Name: N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-N-undecanoyl-benzamide Openeye Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-N-undecanoyl-benzamide CAS Name: N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylanilino]-oxomethyl]-2-nitro-N-(1-oxoundecyl)benzamide IUPAC Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-nitro-N-undecanoylbenzamide Traditional Name: N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-N-undecanoyl-benzamide Formula: C30H34BrN5O6 MolecularWeight: 640.52486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)N(C(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C

Isomeric SMILES

CCCCCCCCCCC(=O)N(C(=O)C1=CC=CC=C1[N+](=O)[O-])C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=N3)Br)C

InChI

InChI=1S/C30H34BrN5O6/c1-3-4-5-6-7-8-9-10-15-27(37)35(28(38)24-13-11-12-14-25(24)36(40)41)30(39)34-23-16-17-26(21(2)18-23)42-29-32-19-22(31)20-33-29/h11-14,16-20H,3-10,15H2,1-2H3,(H,34,39)