methyl 2-[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]ethanoate

Systemtic Name: methyl 2-[2-butyl-5-chloranyl-3-[(4-nitrophenyl)methyl]imidazol-4-yl]ethanoate Openeye Name: methyl 2-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]acetate CAS Name: 2-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]-4-imidazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-butyl-5-chloro-3-[(4-nitrophenyl)methyl]imidazol-4-yl]acetate Traditional Name: 2-[2-butyl-5-chloro-3-(4-nitrobenzyl)imidazol-4-yl]acetic acid methyl ester Formula: C17H20ClN3O4 MolecularWeight: 365.8114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)OC)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC=C(C=C2)[N+](=O)[O-])CC(=O)OC)Cl

InChI

InChI=1S/C17H20ClN3O4/c1-3-4-5-15-19-17(18)14(10-16(22)25-2)20(15)11-12-6-8-13(9-7-12)21(23)24/h6-9H,3-5,10-11H2,1-2H3