pentan-2-yl 3-[[4-(5-bromanylpyridin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate

Systemtic Name: pentan-2-yl 3-[[4-(5-bromanylpyridin-2-yl)oxy-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate Openeye Name: 1-methylbutyl 3-[[4-[(5-bromo-2-pyridyl)oxy]-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate CAS Name: 3-[[4-[(5-bromo-2-pyridinyl)oxy]-3-methylanilino]-oxomethyl]-2-nitrobenzenecarboximidic acid pentan-2-yl ester IUPAC Name: pentan-2-yl 3-[[4-(5-bromopyridin-2-yl)oxy-3-methylphenyl]carbamoyl]-2-nitrobenzenecarboximidate Traditional Name: 3-[[4-[(5-bromo-2-pyridyl)oxy]-3-methyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidic acid 1-methylbutyl ester Formula: C25H25BrN4O5 MolecularWeight: 541.3938

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC(=N)C1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)Br)C)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)OC(=N)C1=C(C(=CC=C1)C(=O)NC2=CC(=C(C=C2)OC3=NC=C(C=C3)Br)C)[N+](=O)[O-]

InChI

InChI=1S/C25H25BrN4O5/c1-4-6-16(3)34-24(27)19-7-5-8-20(23(19)30(32)33)25(31)29-18-10-11-21(15(2)13-18)35-22-12-9-17(26)14-28-22/h5,7-14,16,27H,4,6H2,1-3H3,(H,29,31)