pentan-2-yl (1Z)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate

Systemtic Name: pentan-2-yl (1Z)-N-[[4-(5-bromanylpyrimidin-2-yl)oxy-3-chloranyl-phenyl]carbamoyl]-2-nitro-benzenecarboximidate Openeye Name: 1-methylbutyl (1Z)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]carbamoyl]-2-nitro-benzenecarboximidate CAS Name: (1Z)-N-[[4-[(5-bromo-2-pyrimidinyl)oxy]-3-chloroanilino]-oxomethyl]-2-nitrobenzenecarboximidic acid pentan-2-yl ester IUPAC Name: pentan-2-yl (1Z)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chlorophenyl]carbamoyl]-2-nitrobenzenecarboximidate Traditional Name: (1Z)-N-[[4-(5-bromopyrimidin-2-yl)oxy-3-chloro-phenyl]carbamoyl]-2-nitro-benzenecarboximidic acid 1-methylbutyl ester Formula: C23H21BrClN5O5 MolecularWeight: 562.80034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21BrClN5O5/c1-3-6-14(2)34-21(17-7-4-5-8-19(17)30(32)33)29-22(31)28-16-9-10-20(18(25)11-16)35-23-26-12-15(24)13-27-23/h4-5,7-14H,3,6H2,1-2H3,(H,28,31)/b29-21-