methyl 3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(3-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H17FN4O5 MolecularWeight: 412.371183

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CN1C=CN=C1C(C2=CC(=CC=C2)F)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C20H17FN4O5/c1-24-7-6-22-18(24)17(12-4-3-5-15(21)9-12)23-19(26)13-8-14(20(27)30-2)11-16(10-13)25(28)29/h3-11,17H,1-2H3,(H,23,26)