decyl (1E)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate

Systemtic Name: decyl (1E)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate Openeye Name: decyl (1E)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate CAS Name: (1E)-N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-methylanilino]-oxomethyl]-2-nitrobenzenecarboximidic acid decyl ester IUPAC Name: decyl (1E)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-nitrobenzenecarboximidate Traditional Name: (1E)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidic acid decyl ester Formula: C29H34BrN5O5 MolecularWeight: 612.51476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=NC(=O)NC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCO/C(=N/C(=O)NC1=CC(=C(C=C1)OC2=NC=C(C=N2)Br)C)/C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C29H34BrN5O5/c1-3-4-5-6-7-8-9-12-17-39-27(24-13-10-11-14-25(24)35(37)38)34-28(36)33-23-15-16-26(21(2)18-23)40-29-31-19-22(30)20-32-29/h10-11,13-16,18-20H,3-9,12,17H2,1-2H3,(H,33,36)/b34-27+