ethyl 3-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(4-fluorophenyl)-(1-methyl-2-imidazolyl)methyl]amino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(4-fluorophenyl)-(1-methylimidazol-2-yl)methyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H19FN4O5 MolecularWeight: 426.397763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C2=CC=C(C=C2)F)C3=NC=CN3C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C2=CC=C(C=C2)F)C3=NC=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C21H19FN4O5/c1-3-31-21(28)15-10-14(11-17(12-15)26(29)30)20(27)24-18(19-23-8-9-25(19)2)13-4-6-16(22)7-5-13/h4-12,18H,3H2,1-2H3,(H,24,27)